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Substance Name: RPR-111026
RN: 157183-03-4
UNII: 9H18VZL99W
InChIKey: MZGHWPNTSVYFCV-HHQOYREHSA-N

Molecular Formula

  • C43-H51-N-O15

Molecular Weight

  • 821.8679
 
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Names and Synonyms

Name of Substance

  • RPR-111026

Synonyms

  • Docetaxel m1&m2, (S)-
  • RPR-111026
  • UNII-9H18VZL99W

Registry Numbers

CAS Registry Number

  • 157183-03-4

FDA UNII

  • 9H18VZL99W

System Generated Number

  • 0157183034

Structure Descriptors

InChI

1S/C43H51NO15/c1-21-25(56-36(51)31(48)29(23-14-10-8-11-15-23)44-37(52)40(5,6)59-38(44)53)19-43(54)34(57-35(50)24-16-12-9-13-17-24)32-41(7,33(49)30(47)28(21)39(43,3)4)26(46)18-27-42(32,20-55-27)58-22(2)45/h8-17,25-27,29-32,34,37,46-48,52,54H,18-20H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,37-,41+,42-,43+/m0/s1

InChIKey

MZGHWPNTSVYFCV-HHQOYREHSA-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](N6[C@@H](O)C(C)(C)OC6=O)c7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C