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Substance Name: Ixabepilone [USAN:INN:JAN]
RN: 219989-84-1
UNII: K27005NP0A
InChIKey: FABUFPQFXZVHFB-PVYNADRNSA-N

Note

  • Has antineoplastic activity; epothilone B lactam analogue that induces cell cycle arrest at the G(2)-M phase.

Molecular Formula

  • C27-H42-N2-O5-S

Molecular Weight

  • 506.7038
 

Classification Codes

  • Antimitotic
  • Antineoplastic
  • Antineoplastic Agents

Names and Synonyms

Name of Substance

  • Ixabepilone
  • Ixabepilone [USAN:INN:JAN]

Synonyms

  • 1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methylthiazol-4-yl)ethenyl)-17-oxa-4-azabicyclo(14.1.0)heptadecane-5,9-dione
  • Azaepothilone B
  • BMS 247550-01
  • BMS 247550-1
  • HSDB 7738
  • Ixabepilone
  • Ixempra
  • Ixempra kit
  • UNII-K27005NP0A

Systematic Name

  • 17-oxa-4-azabicyclo(14.1.0)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S,3S,7S,10R,11S,12S,16R)-

Registry Numbers

CAS Registry Number

  • 219989-84-1

FDA UNII

  • K27005NP0A

System Generated Number

  • 0219989841

Structure Descriptors

InChI

1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1

InChIKey

FABUFPQFXZVHFB-PVYNADRNSA-N

Smiles

Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)N2)O)(C)C)C)O)C)C