Caspofungin CAS#: 162808-62-0; ChemWhat Code: 1462422

Identification Physical Data Spectra
Route of Synthesis (ROS) Safety and Hazards Other Data

Identification

Product Name Caspofungin
Molecular Structure
CAS Registry Number 162808-62-0
EINECS Number
MDL Number
Beilstein Registry Number
Synonyms (10R,12S)-N-((2R,9S,11R,12R,14aS,15S,20S,25aS)-20-((R)-3-Amino-1-hydroxypropyl)-12-((2-aminoethyl)amino)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,15-trihydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide
Molecular Formula C52H88N10O15
Molecular Weight 1093.3
InChI
InChI Key
Canonical SMILES O=C([C@](NC(C(NC([C@@](C[C@@H](O)C1)([H])N1C2=O)=O)[C@H](O)[C@H](C3=CC=C(O)C=C3)O)=O)([H])[C@H](O)CCN)N(CC[C@@H]4O)[C@]4([H])C(N[C@H]([C@@H](C[C@@H](C(NC2[C@H](O)C)=O)NC(CCCCCCCC[C@@H](C)C[C@@H](C)CC)=O)O)NCCN)=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 179463-17-3 (Diacetate salt)
Use Pattern
Caspofungin is chemically (10R,12S)-N-((2R,9S,11R,12R,14aS,15S,20S,25aS)-20-((R)-3-Amino-1-hydroxypropyl)-12-((2-aminoethyl)amino)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,15-trihydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide. Caspofungin is supplied with detailed characterization data compliant with regulatory guideline. Caspofungin 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 Caspofungin. 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.

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