Sagopilone
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Molecular Identity
Sagopilone
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
PubChem CID: 11284169
Sagopilone is a macrolide.
2D Structure
Properties
C30H41NO6S
Molecular Formula
543.70
Molecular Weight
g/mol
543.2655
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
137
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
881
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Sagopilone305841-29-6ZK-EPOZK-219477SagopilonaZK-epothiloneDE-03757SH-Y03757AKY72JU32FOBAY86-5302ZK219477(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-(prop-2-en-1-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-(prop-2-enyl)-4,17-dioxabicyclo(14.1.0)heptadecane-5,9-dionesagopilonum(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-(prop-2-en-1-yl)-4,17-dioxabicyclo(14.1.0)heptadecane-5,9-dione
Data from PubChem (NCBI)
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Drug Network
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