Samidorphan Isoquinoline Dioxolane CAS#: 361525-83-9

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

Identification

英文名 Samidorphan Isoquinoline Dioxolane
分子结构
CAS编号 361525-83-9
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4’R,4a’S,7a’R,12b’S)-3′-(cyclopropylmethyl)-4a’-hydroxy-2′,3′,4′,4a’,5′,6′-hexahydro-1’H,7a’H-spiro[[1,3]dioxolane-2,7′-[4,12]methanobenzofuro[3,2-e]isoquinoline]-9′-carboxamide
分子式 C23H28N2O5
分子量 412.5
InChI
InChI Key
Canonical SMILES O[C@]1([C@@]2([H])C3)[C@@]4(CCN2CC5CC5)C(C3=CC=C6C(N)=O)=C6O[C@@]4([H])C7(OCCO7)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
Samidorphan Isoquinoline Dioxolane is chemically (4’R,4a’S,7a’R,12b’S)-3′-(cyclopropylmethyl)-4a’-hydroxy-2′,3′,4′,4a’,5′,6′-hexahydro-1’H,7a’H-spiro[[1,3]dioxolane-2,7′-[4,12]methanobenzofuro[3,2-e]isoquinoline]-9′-carboxamide. Samidorphan Isoquinoline Dioxolane is supplied with detailed characterization data compliant with regulatory guideline. Samidorphan Isoquinoline Dioxolane 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 Samidorphan. 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.

Samidorphan D4 CAS#: N/A

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

Identification

英文名 Samidorphan D4
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4bR,8aS,9R)-11-((Cyclopropyl-2,2,3,3-d4)methyl)-4,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene-3-carboxamide
分子式 C21H22D4N2O4
分子量 374.5
InChI
InChI Key
Canonical SMILES O[C@@]([C@@]1([H])C2)(CC3)[C@](CCN1CC4C([2H])([2H])C4([2H])[2H])(CC3=O)C(C2=CC=C5C(N)=O)=C5O

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
Samidorphan D4 is chemically (4bR,8aS,9R)-11-((Cyclopropyl-2,2,3,3-d4)methyl)-4,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene-3-carboxamide. Samidorphan D4 is supplied with detailed characterization data compliant with regulatory guideline. Samidorphan D4 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 Samidorphan. 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.

Samidorphan Impurity 3 CAS#: 421552-35-4

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

Identification

英文名 Samidorphan Impurity 3
分子结构
CAS编号 421552-35-4
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-carboxamide
分子式 C21H24N2O4
分子量 368.4
InChI
InChI Key
Canonical SMILES O[C@@]([C@@]1([H])C2)(CC3)[C@@]4(CCN1CC5CC5)C(C2=CC=C6C(N)=O)=C6O[C@@]4([H])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
Samidorphan Impurity 3 is chemically (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-carboxamide. Samidorphan Impurity 3 is supplied with detailed characterization data compliant with regulatory guideline. Samidorphan 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 Samidorphan. 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.

Samidorphan Impurity 2 CAS#: N/A

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

Identification

英文名 Samidorphan Impurity 2
分子结构
CAS编号 N/A
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4bR,8aS,9R)-11-(Cyclopropylmethyl)-4,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene-3-carboxylic acid
分子式 C21H25NO5
分子量 371.4
InChI
InChI Key
Canonical SMILES O[C@@]([C@@]1([H])C2)(CC3)[C@](CCN1CC4CC4)(CC3=O)C(C2=CC=C5C(O)=O)=C5O

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
Samidorphan Impurity 2 is chemically (4bR,8aS,9R)-11-(Cyclopropylmethyl)-4,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene-3-carboxylic acid. Samidorphan Impurity 2 is supplied with detailed characterization data compliant with regulatory guideline. Samidorphan 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 Samidorphan. 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.

Samidorphan Impurity 1 CAS#: 886588-56-3

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

Identification

英文名 Samidorphan Impurity 1
分子结构
CAS编号 886588-56-3
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4bS,8aS,9R)-11-(Cyclopropylmethyl)-4,8a-dihydroxy-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene-3-carboxamide
分子式 C21H28N2O3
分子量 356.5
InChI
InChI Key
Canonical SMILES O[C@]1([C@@]2([H])C3)[C@](CCN2CC4CC4)(CCCC1)C(C3=CC=C5C(N)=O)=C5O

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
Samidorphan Impurity 1 is chemically (4bS,8aS,9R)-11-(Cyclopropylmethyl)-4,8a-dihydroxy-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene-3-carboxamide. Samidorphan Impurity 1 is supplied with detailed characterization data compliant with regulatory guideline. Samidorphan 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 Samidorphan. 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.

Samidorphan L-Malate CAS#: 1204592-75-5

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

Identification

英文名 Samidorphan L-Malate
分子结构
CAS编号 1204592-75-5
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4bR,8aS,9R)-11-(cyclopropylmethyl)-4,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene-3-carboxamide (S)-2-hydroxysuccinate
分子式 C21H26N2O4 : C4H6O5
分子量 370.4 : 134.1
InChI
InChI Key
Canonical SMILES O[C@@]([C@@]1([H])C2)(CC3)[C@](CCN1CC4CC4)(CC3=O)C(C2=CC=C5C(N)=O)=C5O.O[C@H](C(O)=O)CC(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 852626-89-2 (free base)
Use Pattern
Samidorphan L-Malate is chemically (4bR,8aS,9R)-11-(cyclopropylmethyl)-4,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene-3-carboxamide (S)-2-hydroxysuccinate. Samidorphan L-Malate is supplied with detailed characterization data compliant with regulatory guideline. Samidorphan L-Malate 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 Samidorphan. 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.

Samidorphan CAS#: 852626-89-2

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

Identification

英文名 Samidorphan
分子结构
CAS编号 852626-89-2
EINECS Number
MDL Number
Beilstein Registry Number
别名 (4bR,8aS,9R)-11-(cyclopropylmethyl)-4,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene-3-carboxamide
分子式 C21H26N2O4
分子量 370.4
InChI
InChI Key
Canonical SMILES O[C@@]([C@@]1([H])C2)(CC3)[C@](CCN1CC4CC4)(CC3=O)C(C2=CC=C5C(N)=O)=C5O

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
Samidorphan is chemically (4bR,8aS,9R)-11-(cyclopropylmethyl)-4,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene-3-carboxamide. Samidorphan is supplied with detailed characterization data compliant with regulatory guideline. Samidorphan 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 Samidorphan. 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.