Anidulafungin
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-pentoxyphenyl)phenyl]benzamide
Molecular Identity
Anidulafungin
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-pentoxyphenyl)phenyl]benzamide
PubChem CID: 166548
Anidulafungin is a semisynthetic echinocandin anti-fungal drug. It is active against Aspergillus and Candida species and is used for the treatment of invasive candidiasis. It is a heterodetic cyclic peptide, an azamacrocycle, an echinocandin, a semisynthetic derivative and an antibiotic antifungal drug.
2D Structure
Properties
C58H73N7O17
Molecular Formula
1140.20
Molecular Weight
g/mol
1139.5063
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
377
TPSA
May have limited oral absorption
14
H-Bond Donors
17
H-Bond Acceptors
2150
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Anidulafungin166663-25-8EraxisV-EchinocandinEcaltaLY303366AnidulafunginaAnidulafungineLY-303366VER-002AnidulafunginumVER0029HLM53094IN-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-pentoxyphenyl)phenyl]benzamideCHEBI:55346
Data from PubChem (NCBI)
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Trials and conditions connected to Anidulafungin
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