Semduramicin CAS#: 113378-31-7

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

Identification

英文名 Semduramicin
分子结构
CAS编号 113378-31-7
EINECS Number
MDL Number
Beilstein Registry Number
别名 2-((2R,3S,4S,5R,6S)-2,4-Dihydroxy-6-((R)-1-((2S,5R,7S,8R,9S)-9-hydroxy-2-((2S,2’R,3’S,5R,5’R)-5′-((2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl)-3′-(((2S,5S,6R)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-methyloctahydro-[2,2′-bifuran]-5-yl)-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)ethyl)-5-methoxy-3-methyltetrahydro-2H-pyran-2-yl)acetic acid
分子式 C45H76O16
分子量 873.1
InChI
InChI Key
Canonical SMILES C[C@]1([C@](CC2)([H])O[C@@]2([C@@](O[C@]([C@@]([C@H](C[C@H]3C)C)([H])O[C@@]3(O)C)([H])C4)([H])[C@H]4O[C@@H](CC[C@@H]5OC)O[C@@H]5C)C)O[C@](CC1)(C[C@@H]6O)O[C@]([C@@H]6C)([H])[C@H]([C@@](O[C@]7(O)CC(O)=O)([H])[C@@H]([C@H]([C@@H]7C)O)OC)C

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
Semduramicin is chemically 2-((2R,3S,4S,5R,6S)-2,4-Dihydroxy-6-((R)-1-((2S,5R,7S,8R,9S)-9-hydroxy-2-((2S,2’R,3’S,5R,5’R)-5′-((2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl)-3′-(((2S,5S,6R)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-methyloctahydro-[2,2′-bifuran]-5-yl)-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)ethyl)-5-methoxy-3-methyltetrahydro-2H-pyran-2-yl)acetic acid. Semduramicin is supplied with detailed characterization data compliant with regulatory guideline. Semduramicin 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 Semduramicin. 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.

Semduramicin Sodium CAS#: 119068-77-8

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

Identification

英文名 Semduramicin Sodium
分子结构
CAS编号 119068-77-8
EINECS Number
MDL Number
Beilstein Registry Number
别名 2-((2R,3S,4S,5R,6S)-2,4-Dihydroxy-6-((R)-1-((2S,5R,7S,8R,9S)-9-hydroxy-2-((2S,2’R,3’S,5R,5’R)-5′-((2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl)-3′-(((2S,5S,6R)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-methyloctahydro-[2,2′-bifuran]-5-yl)-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)ethyl)-5-methoxy-3-methyltetrahydro-2H-pyran-2-yl)acetic acid, sodium salt
分子式 C45H76O16 : Na
分子量 873.1 : 23.0
InChI
InChI Key
Canonical SMILES C[C@]1([C@](CC2)([H])O[C@@]2([C@@](O[C@]([C@@]([C@H](C[C@H]3C)C)([H])O[C@@]3(O)C)([H])C4)([H])[C@H]4O[C@@H](CC[C@@H]5OC)O[C@@H]5C)C)O[C@](CC1)(C[C@@H]6O)O[C@]([C@@H]6C)([H])[C@H]([C@@](O[C@]7(O)CC(O)=O)([H])[C@@H]([C@H]([C@@H]7C)O)OC)C.[Na]

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 113378-31-7 (free base)
Use Pattern
Semduramicin Sodium is chemically 2-((2R,3S,4S,5R,6S)-2,4-Dihydroxy-6-((R)-1-((2S,5R,7S,8R,9S)-9-hydroxy-2-((2S,2’R,3’S,5R,5’R)-5′-((2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl)-3′-(((2S,5S,6R)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-methyloctahydro-[2,2′-bifuran]-5-yl)-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)ethyl)-5-methoxy-3-methyltetrahydro-2H-pyran-2-yl)acetic acid, sodium salt. Semduramicin Sodium is supplied with detailed characterization data compliant with regulatory guideline. Semduramicin Sodium 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 Semduramicin. 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.