Nalbuphine Impurity 3 CAS#: 116499-16-2

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

Identification

英文名 Nalbuphine Impurity 3
分子结构
CAS编号 116499-16-2
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,4aS,7S,7aR,12bS)-9-Methoxy-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol
分子式 C17H21NO4
分子量 303.4
InChI
InChI Key
Canonical SMILES O[C@@]1(CC[C@@H]2O)[C@]3([C@@]2([H])OC4=C5OC)C4=C(C=C5)C[C@@]1([H])NCC3

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
Nalbuphine Impurity 3 is chemically (4R,4aS,7S,7aR,12bS)-9-Methoxy-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol. Nalbuphine Impurity 3 is supplied with detailed characterization data compliant with regulatory guideline. Nalbuphine Impurity 3 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 Nalbuphine. 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.

Nalbuphine D3 CAS#: N/A

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

Identification

英文名 Nalbuphine D3
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl-d2)-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-7-d-4a,7,9-triol
分子式 C21H24D3NO4
分子量 360.5
InChI
InChI Key
Canonical SMILES [H][C@]1([C@](O)([2H])CC2)[C@]([C@]2(O)[C@@](N3C([2H])([2H])C4CCC4)([H])C5)(CC3)C6=C5C=CC(O)=C6O1

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 20594-83-6 (unlabelled)
Use Pattern
Nalbuphine D3 is chemically (4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl-d2)-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-7-d-4a,7,9-triol. Nalbuphine D3 is supplied with detailed characterization data compliant with regulatory guideline. Nalbuphine D3 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 Nalbuphine. 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.

(+)-Nalbuphine CAS#: 1240373-02-7

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

Identification

英文名 (+)-Nalbuphine
分子结构
CAS编号 1240373-02-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4S,4aR,7R,7aS,12bR)-3-(Cyclobutylmethyl)-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
分子式 C21H27NO4
分子量 357.5
InChI
InChI Key
Canonical SMILES O[C@@]12[C@]34C5=C(C[C@]2([H])N(CC4)CC6CCC6)C=CC(O)=C5O[C@]3([H])[C@@H](CC1)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
(+)-Nalbuphine is chemically (4S,4aR,7R,7aS,12bR)-3-(Cyclobutylmethyl)-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol. (+)-Nalbuphine is supplied with detailed characterization data compliant with regulatory guideline. (+)-Nalbuphine 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 Nalbuphine. 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.

6-Keto Nalbuphine HCl CAS#: 16676-34-9

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

Identification

英文名 6-Keto Nalbuphine HCl
分子结构
CAS编号 16676-34-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,4aS,7aR,12bS)-3-(cyclobutylmethyl)-4a,9-dihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7aH)-one hydrochloride
分子式 C21H25NO4 : HCl
分子量 355.4 : 36.5
InChI
InChI Key
Canonical SMILES [H][C@]1(C(CC2)=O)[C@]([C@]2(O)[C@@](N3CC4CCC4)([H])C5)(CC3)C6=C5C=CC(O)=C6O1.Cl

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 16676-33-8 (free base)
Use Pattern
6-Keto Nalbuphine HCl is chemically (4R,4aS,7aR,12bS)-3-(cyclobutylmethyl)-4a,9-dihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7aH)-one hydrochloride. 6-Keto Nalbuphine HCl is supplied with detailed characterization data compliant with regulatory guideline. 6-Keto Nalbuphine HCl 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 Nalbuphine. 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.

6beta-Nalbuphine CAS#: 85284-04-4

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

Identification

英文名 6beta-Nalbuphine
分子结构
CAS编号 85284-04-4
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,4aS,7R,7aR,12bS)-3-(cyclobutylmethyl)-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
分子式 C21H27NO4
分子量 357.5
InChI
InChI Key
Canonical SMILES O[C@@]1(CC[C@H]2O)[C@@]([C@@]2([H])OC3=C4O)(CC5)C3=C(C=C4)C[C@@]1([H])N5CC6CCC6

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 60018-68-0 (HCl salt)
Use Pattern
6beta-Nalbuphine is chemically (4R,4aS,7R,7aR,12bS)-3-(cyclobutylmethyl)-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol. 6beta-Nalbuphine is supplied with detailed characterization data compliant with regulatory guideline. 6beta-Nalbuphine 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 Nalbuphine. 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.

Methyl Nalbuphine CAS#: 90242-27-6

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

Identification

英文名 Methyl Nalbuphine
分子结构
CAS编号 90242-27-6
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,4aS,7S,7aR,12bS)-3-(Cyclobutylmethyl)-9-methoxy-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol
分子式 C22H29NO4
分子量 371.5
InChI
InChI Key
Canonical SMILES O[C@@]1(CC[C@@H]2O)[C@@]([C@@]2([H])OC3=C4OC)(CC5)C3=C(C=C4)C[C@@]1([H])N5CC6CCC6

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
Methyl Nalbuphine is chemically (4R,4aS,7S,7aR,12bS)-3-(Cyclobutylmethyl)-9-methoxy-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol. Methyl Nalbuphine is supplied with detailed characterization data compliant with regulatory guideline. Methyl Nalbuphine 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 Nalbuphine. 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.

Nalbuphine Impurity 2 CAS#: 66944-73-8

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

Identification

英文名 Nalbuphine Impurity 2
分子结构
CAS编号 66944-73-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,3,4,7,7a-hexahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
分子式 C21H25NO4
分子量 355.4
InChI
InChI Key
Canonical SMILES O[C@@]1(C=C[C@@H]2O)[C@@]([C@@]2([H])OC3=C4O)(CC5)C3=C(C=C4)C[C@@]1([H])N5CC6CCC6

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
Nalbuphine Impurity 2 is chemically (4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,3,4,7,7a-hexahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol. Nalbuphine Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Nalbuphine 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 Nalbuphine. 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.

Nalbuphine Impurity 1 CAS#: 2771387-27-8

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

Identification

英文名 Nalbuphine Impurity 1
分子结构
CAS编号 2771387-27-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,4aS,7S,7aR,12bS)-4a,7,9-trihydroxy-1,2,4,4a,5,6,7,7a-octahydro-3H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carbaldehyde
分子式 C17H19NO5
分子量 317.3
InChI
InChI Key
Canonical SMILES O[C@@]1(CC[C@@H]2O)[C@@]([C@@]2([H])OC3=C4O)(CC5)C3=C(C=C4)C[C@@]1([H])N5C=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
Nalbuphine Impurity 1 is chemically (4R,4aS,7S,7aR,12bS)-4a,7,9-trihydroxy-1,2,4,4a,5,6,7,7a-octahydro-3H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carbaldehyde. Nalbuphine Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Nalbuphine 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 Nalbuphine. 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.

2,2-Bis Nalbuphine CAS#: 214542-42-4

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

Identification

英文名 2,2-Bis Nalbuphine
分子结构
CAS编号 214542-42-4
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,4’R,5S,5’S,8S,8’S,9R,9’R,17S,17’S)-3,3′-Bis(cyclobutylmethyl)-1,1′,2,2′,3,3′,4,4′,5,5′,6,6′,7,7′,8,8′,9,9′,18,18′-icosahydro-[13,13′-bi(4,12-methanobenzofuro[3,2-e]isoquinoline)]-5,5′,8,8′,12,12′-hexaol
分子式 C42H52N2O8
分子量 712.9
InChI
InChI Key
Canonical SMILES O[C@]1([C@@]2([H])CC3=CC(C(C=C4C5=C6O[C@]([C@H]7O)([H])[C@@]5(CCN8CC9CCC9)[C@@](O)(CC7)[C@@]8([H])C4)=C6O)=C%10O)[C@@]%11(CCN2CC%12CCC%12)C3=C%10O[C@@]%11([H])[C@@H](O)CC1

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
2,2-Bis Nalbuphine is chemically (4R,4’R,5S,5’S,8S,8’S,9R,9’R,17S,17’S)-3,3′-Bis(cyclobutylmethyl)-1,1′,2,2′,3,3′,4,4′,5,5′,6,6′,7,7′,8,8′,9,9′,18,18′-icosahydro-[13,13′-bi(4,12-methanobenzofuro[3,2-e]isoquinoline)]-5,5′,8,8′,12,12′-hexaol. 2,2-Bis Nalbuphine is supplied with detailed characterization data compliant with regulatory guideline. 2,2-Bis Nalbuphine 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 Nalbuphine. 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.

Nalbuphine Hydrochloride CAS#: 23277-43-2

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

Identification

英文名 Nalbuphine Hydrochloride
分子结构
CAS编号 23277-43-2
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol hydrochloride
分子式 C21H27NO4 :HCl
分子量 357.5 : 36.5
InChI
InChI Key
Canonical SMILES [H][C@]1([C@@H](O)CC2)[C@]([C@]2(O)[C@@](N3CC4CCC4)([H])C5)(CC3)C6=C5C=CC(O)=C6O1.Cl

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 20594-83-6 (freebase) ; 111859-29-1 (HBr salt)
Use Pattern
Nalbuphine Hydrochloride is chemically (4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol hydrochloride. Nalbuphine Hydrochloride is supplied with detailed characterization data compliant with regulatory guideline. Nalbuphine Hydrochloride 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 Nalbuphine. 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.