Bromocriptine Impurity 2 CAS#: 228086-91-7

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Bromocriptine Impurity 2
分子结构
CAS编号 228086-91-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 (6aR,9R)-5-bromo-N-((2R,5S,10aS,10bS)-2-((S)-sec-butyl)-10b-hydroxy-5-isobutyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
分子式 C33H42BrN5O5
分子量 668.6
InChI
InChI Key
Canonical SMILES O[C@@]([C@@](CCC1)([H])N1C2=O)(O[C@]([C@@H](C)CC)3NC([C@@H](CN4C)C=C([C@@]4([H])C5)C6=CC=CC(N7)=C6C5=C7Br)=O)N([C@H]2CC(C)C)C3=O

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Bromocriptine Impurity 2 is chemically (6aR,9R)-5-bromo-N-((2R,5S,10aS,10bS)-2-((S)-sec-butyl)-10b-hydroxy-5-isobutyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide. Bromocriptine Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Bromocriptine Impurity 2 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Bromocriptine Mesilate. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Bromocriptine Mesilate CAS#: 22260-51-1

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Bromocriptine Mesilate
分子结构
CAS编号 22260-51-1
EINECS Number
MDL Number
Beilstein Registry Number
别名 (6aR,9R)-5-Bromo-N-[(2R,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide monomethanesulfonate. (as per EP) ; Ergotaman-3′,6′,18-trione, 2-bromo-12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-, monomethanesulfonate (salt), (5′alpha)- (as per USP)
分子式 C32H40BrN5O5 : CH4O3S
分子量 654.6 : 96.1
InChI
InChI Key
Canonical SMILES BrC1=C2C[C@]3([H])C(C4=C2C(N1)=CC=C4)=C[C@](C(N[C@]5(C(C)C)O[C@]([C@@](CCC6)([H])N6C([C@]7([H])CC(C)C)=O)(O)N7C5=O)=O)([H])CN3C.CS(=O)(O)=O

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals 25614-03-3 (free base) ; 22260-51-1 (Methanesulfonic Acid) ; 69580-08-1 (XHCl salt) ; 109026-29-1 (Phosphoric Acid)
Use Pattern
Bromocriptine Mesilate is chemically (6aR,9R)-5-Bromo-N-[(2R,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide monomethanesulfonate. (as per EP) ; Ergotaman-3′,6′,18-trione, 2-bromo-12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-, monomethanesulfonate (salt), (5′alpha)- (as per USP). Bromocriptine Mesilate is supplied with detailed characterization data compliant with regulatory guideline. Bromocriptine Mesilate can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Bromocriptine Mesilate. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Bromocriptine-13CD3 CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Bromocriptine-13CD3
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (6aR,9R)-5-Bromo-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-(methyl-13C-d3)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
分子式 C3113CH37D3BrN5O5
分子量 658.6
InChI
InChI Key
Canonical SMILES O=C([C@H](C=C12)CN([13C]([2H])([2H])[2H])[C@]2([H])CC3=C(Br)NC4=C3C1=CC=C4)N[C@@](O5)(C(C)C)C(N6[C@]5(O)[C@@](CCC7)([H])N7C([C@@H]6CC(C)C)=O)=O

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Bromocriptine-13CD3 is chemically (6aR,9R)-5-Bromo-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-(methyl-13C-d3)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide. Bromocriptine-13CD3 is supplied with detailed characterization data compliant with regulatory guideline. Bromocriptine-13CD3 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Bromocriptine Mesilate. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Bromocriptine Impurity 1 CAS#: 157135-99-4

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Bromocriptine Impurity 1
分子结构
CAS编号 157135-99-4
EINECS Number
MDL Number
Beilstein Registry Number
别名 (6aR,9R)-5-bromo-N-((2R,5S,10aS,10bS)-2-((R)-sec-butyl)-10b-hydroxy-5-isobutyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
分子式 C33H42BrN5O5
分子量 668.6
InChI
InChI Key
Canonical SMILES O[C@@]([C@@](CCC1)([H])N1C2=O)(O[C@]([C@H](C)CC)3NC([C@@H](CN4C)C=C([C@@]4([H])C5)C6=CC=CC(N7)=C6C5=C7Br)=O)N([C@H]2CC(C)C)C3=O

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Bromocriptine Impurity 1 is chemically (6aR,9R)-5-bromo-N-((2R,5S,10aS,10bS)-2-((R)-sec-butyl)-10b-hydroxy-5-isobutyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide. Bromocriptine Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Bromocriptine Impurity 1 can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Bromocriptine Mesilate. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Bromocriptine 2-Methylbutyl Analogue CAS#: 157135-98-3

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Bromocriptine 2-Methylbutyl Analogue
分子结构
CAS编号 157135-98-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 (6aR,9R)-5-bromo-N-((2R,5S,10aS,10bS)-10b-hydroxy-2-isopropyl-5-(2-methylbutyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
分子式 C33H42BrN5O5
分子量 668.6
InChI
InChI Key
Canonical SMILES O[C@@]([C@@](CCC1)([H])N1C2=O)(O[C@](C(C)C)3NC([C@@H](CN4C)C=C([C@@]4([H])C5)C6=CC=CC(N7)=C6C5=C7Br)=O)N([C@H]2CC(C)CC)C3=O

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Bromocriptine 2-Methylbutyl Analogue is chemically (6aR,9R)-5-bromo-N-((2R,5S,10aS,10bS)-10b-hydroxy-2-isopropyl-5-(2-methylbutyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide. Bromocriptine 2-Methylbutyl Analogue is supplied with detailed characterization data compliant with regulatory guideline. Bromocriptine 2-Methylbutyl Analogue can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Bromocriptine Mesilate. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Bromocriptine Dimer CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Bromocriptine Dimer
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (6aR,6’aR,9R)-5-bromo-N9,N9′-bis((2R,5S,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7,7′-dimethyl-4′,6a,6′,6’a,7,7′,8,8′,9,9′-decahydro-6H-[4,5′-biindolo[4,3-fg]quinoline]-9,9′-dicarboxamide
分子式 C64H79BrN10O10
分子量 1228.3
InChI
InChI Key
Canonical SMILES O=C(N[C@@](O[C@]1(O)N2[C@@H](CC(C)C)C(N3C1CCC3)=O)(C(C)C)C2=O)[C@H]4CN(C)[C@](C5=C4)([H])CC6=C(Br)N(C7=C(C[C@]8([H])C9=CC(C(N[C@@](O[C@]%10(O)N%11[C@@H](CC(C)C)C(N%12C%10CCC%12)=O)(C(C)C)C%11=O)=O)CN8C)C(C9=CC=C%13)=C%13N7)C%14=C6C5=CC=C%14

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Bromocriptine Dimer is chemically (6aR,6’aR,9R)-5-bromo-N9,N9′-bis((2R,5S,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7,7′-dimethyl-4′,6a,6′,6’a,7,7′,8,8′,9,9′-decahydro-6H-[4,5′-biindolo[4,3-fg]quinoline]-9,9′-dicarboxamide. Bromocriptine Dimer is supplied with detailed characterization data compliant with regulatory guideline. Bromocriptine Dimer can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Bromocriptine Mesilate. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

N-Nitroso Bromocriptine CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 N-Nitroso Bromocriptine
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (6aR,9R)-5-bromo-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4-nitroso-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
分子式 C32H39BrN6O6
分子量 683.6
InChI
InChI Key
Canonical SMILES BrC1=C2C[C@]3([H])C(C4=C2C(N1N=O)=CC=C4)=C[C@](C(N[C@]5(C(C)C)O[C@]([C@@](CCC6)([H])N6C([C@]7([H])CC(C)C)=O)(O)N7C5=O)=O)([H])CN3C

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
N-Nitroso Bromocriptine is chemically (6aR,9R)-5-bromo-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4-nitroso-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide. N-Nitroso Bromocriptine is supplied with detailed characterization data compliant with regulatory guideline. N-Nitroso Bromocriptine can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Bromocriptine Mesilate. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Bromocriptine Mesilate EP Impurity G CAS#: N/A

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Bromocriptine Mesilate EP Impurity G
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (6aR,9R)-5-Bromo-N-[(2R,5S,10aS,10bS)-10b-methoxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (as per EP)
分子式 C33H42BrN5O5
分子量 668.6
InChI
InChI Key
Canonical SMILES [H][C@@]1(CC2=C(Br)N3)C(C4=C2C3=CC=C4)=C[C@](C(N[C@]5(C(C)C)O[C@]([C@@](CCC6)([H])N6C([C@]7([H])CC(C)C)=O)(OC)N7C5=O)=O)([H])CN1C

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Bromocriptine Mesilate EP Impurity G is chemically (6aR,9R)-5-Bromo-N-[(2R,5S,10aS,10bS)-10b-methoxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (as per EP). It is also known as 2-Bromo-10′b-O-methyl-alpha-ergocryptine (EP). Bromocriptine Mesilate EP Impurity G is supplied with detailed characterization data compliant with regulatory guideline. Bromocriptine Mesilate EP Impurity G can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Bromocriptine Mesilate. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Bromocriptine Mesilate EP Impurity E CAS#: 2492-53-7

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Bromocriptine Mesilate EP Impurity E
分子结构
CAS编号 2492-53-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 (6aR,9R)-5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (as per EP)
分子式 C16H16BrN3O
分子量 346.2
InChI
InChI Key
Canonical SMILES [H][C@@]1(CC2=C(Br)N3)C(C4=C2C3=CC=C4)=C[C@](C(N)=O)([H])CN1C

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Bromocriptine Mesilate EP Impurity E is chemically (6aR,9R)-5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (as per EP). Bromocriptine Mesilate EP Impurity E is supplied with detailed characterization data compliant with regulatory guideline. Bromocriptine Mesilate EP Impurity E can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Bromocriptine Mesilate. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.

Bromocriptine Mesilate EP Impurity F CAS#: 82773-21-5

By great_watson-int,
Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

英文名 Bromocriptine Mesilate EP Impurity F
分子结构
CAS编号 82773-21-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 (6aR,9R)-5-Bromo-N-[(2S,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (as per EP)
分子式 C32H40BrN5O5
分子量 654.6
InChI
InChI Key
Canonical SMILES [H][C@@]1(CC2=C(Br)N3)C(C4=C2C3=CC=C4)=C[C@](C(N[C@@]5(C(C)C)O[C@]([C@@](CCC6)([H])N6C([C@]7([H])CC(C)C)=O)(O)N7C5=O)=O)([H])CN1C

Physical Data

Appearance No data available
Solubility No data available
Flash Point No data available
Refractive index No data available
Sensitivity No data available
Melting Point No data available

Spectra

No data available

Route of Synthesis (ROS)

No data available

Safety and Hazards

No data available

Other Data

HS Code 382290
Storage At room temperature and away from light
Related Chemicals
Use Pattern
Bromocriptine Mesilate EP Impurity F is chemically (6aR,9R)-5-Bromo-N-[(2S,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (as per EP). It is also known as (2′S)-2-bromo-alpha-ergocryptine (EP). Bromocriptine Mesilate EP Impurity F is supplied with detailed characterization data compliant with regulatory guideline. Bromocriptine Mesilate EP Impurity F can be used for the analytical method development, method validation (AMV), Quality Controlled (QC) application for Abbreviated New Drug Application (ANDA) or during commercial production of Bromocriptine Mesilate. The product can be used as reference standards and further traceability against pharmacopeial standards (USP or EP) can be provided based on feasibility. ChemWhat products are for analytical purpose only and not for human use.