Caspofungin acetate
acetic acid;N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
Molecular Identity
Caspofungin acetate
acetic acid;N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
PubChem CID: 6850808
2D Structure
Properties
C56H96N10O19
Molecular Formula
1213.40
Molecular Weight
g/mol
1212.6853
Exact Mass
Da
487
TPSA
May have limited oral absorption
18
H-Bond Donors
22
H-Bond Acceptors
1930
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Caspofungin acetate179463-17-3caspofungin diacetateCHEBI:59900DTXSID60904590RefChem:56793DTXCID801333717VUW370O5QECancidasMFCD08141839Cancidas (TN)Caspofungin Acetate (>90%)C56H96N10O19MK-0991 (Acetate);L-743872 (Acetate)SCHEMBL149293
Data from PubChem (NCBI)
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