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: CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)CC=C)(C)C)O)C3=CC4=C(C=C3)SC(=N4)C)CIsomeric SMILES
SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)C3=CC4=C(C=C3)SC(=N4)C)CSynonyms(20)
Sagopilone305841-29-6ZK-EPOZK-219477SH-Y03757ADE-03757KY72JU32FOSagopilonaZK-epothiloneBAY86-5302ZK219477(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-enyl)-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-en-1-yl)-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)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Sagopilone
Loading drug network...