Sagopilone

CAS Registry Number®

305841-29-6
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CAS Name

Sagopilone

Molecular Formula

C30H41NO6S

Molecular Mass

543.71

Cite this Page

Sagopilone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=305841-29-6 (retrieved 2024-05-18) (CAS RN: 305841-29-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H41NO6S/c1-7-9-20-27(34)17(2)10-8-13-30(6)25(37-30)15-22(19-11-12-23-21(14-19)31-18(3)38-23)36-26(33)16-24(32)29(4,5)28(20)35/h7,11-12,14,17,20,22,24-25,27,32,34H,1,8-10,13,15-16H2,2-6H3/t17-,20+,22-,24-,25-,27-,30+/m0/s1

InChIKey

InChIKey=BFZKMNSQCNVFGM-UCEYFQQTSA-N

SMILES

C[C@@]12[C@@](O1)(C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](CC=C)[C@@H](O)[C@@H](C)CCC2)C=3C=C4C(=CC3)SC(C)=N4)[H]

Canonical SMILES

O=C1OC(C=2C=CC=3SC(=NC3C2)C)CC4OC4(C)CCCC(C)C(O)C(C(=O)C(C)(C)C(O)C1)CC=C

Other Names for this Substance

  • 4,17-Dioxabicyclo[14.1.0]heptadecane-5,9-dione, 7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-5-benzothiazolyl)-10-(2-propen-1-yl)-, (1S,3S,7S,10R,11S,12S,16R)-
  • 4,17-Dioxabicyclo[14.1.0]heptadecane-5,9-dione, 7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-5-benzothiazolyl)-10-(2-propenyl)-, (1S,3S,7S,10R,11S,12S,16R)-
  • (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-5-benzothiazolyl)-10-(2-propen-1-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
  • Sagopilone
  • ZK-EPO

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