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Substance Name: 4-epi-6-Oxodocetaxel
RN: 162784-72-7
UNII: 23YRN771SO
InChIKey: ZOLQDWANVNOXBK-JSBGVCCUSA-N

Molecular Weight

  • 805.8689
 
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Names and Synonyms

Name of Substance

  • 4-epi-6-Oxodocetaxel

Synonyms

  • (-)-4-epi-6-Oxodocetaxel
  • 10-Deoxy-10-oxo-7-epi-docetaxel
  • 4-epi-6-Oxodocetaxel
  • 5beta,20-Epoxy-1,7alpha-dihydroxy-9,10-dioxotax-11-ene-2alpha,4,13alpha-triyl 4-acetate 2-benzoate 13-((2R,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-3-phenylpropanoate)
  • Docetaxel impurity D
  • Docetaxel impurity, 4-epi-6-oxodocetaxel- [USP]
  • Docetaxel trihydrate impurity D [EP]
  • UNII-23YRN771SO

Registry Numbers

CAS Registry Number

  • 162784-72-7

FDA UNII

  • 23YRN771SO

System Generated Number

  • 0162784727

Structure Descriptors

InChI

InChI=1S/C43H51NO14/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/h9-18,26-28,30,32-33,35,46,48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27+,28+,30-,32+,33-,35-,41+,42-,43+/m0/s1

InChIKey

ZOLQDWANVNOXBK-JSBGVCCUSA-N

Smiles

CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C(C(=O)C3=O)C5(C)C)C