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Substance Name: 4-Epidocetaxel
RN: 153381-68-1
UNII: BVQ8BYC7MI
InChIKey: ZDZOTLJHXYCWBA-MQOKZWAMSA-N

Molecular Weight

  • 807.8847
 
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Names and Synonyms

Name of Substance

  • 4-Epidocetaxel

Synonyms

  • 4-epi-Docetaxel
  • 4-Epidocetaxel
  • 5beta,20-Epoxy-1,7alpha,10beta-trihydroxy-9-oxotax-11-ene-2alpha,4,13alpha-triyl 4-acetate 2-benzoate 13-((2R,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-3-phenylpropanoate)
  • 7-epi-Docetaxel
  • 7-Epidocetaxel
  • 7-Epitaxotere
  • Docetaxel impurity C
  • Docetaxel impurity, 4-epidocetaxel- [USP]
  • Docetaxel trihydrate impurity C [EP]
  • Docetaxel trihydrate specified impurity C [EP]
  • UNII-BVQ8BYC7MI

Registry Numbers

CAS Registry Number

  • 153381-68-1

FDA UNII

  • BVQ8BYC7MI

System Generated Number

  • 0153381681

Structure Descriptors

InChI

1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27+,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1

InChIKey

ZDZOTLJHXYCWBA-MQOKZWAMSA-N

Smiles

CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O