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Substance Name: 4-Desacetylpaclitaxel 4-methyl carbonate
RN: 172481-83-3
UNII: 0HG7S0S581
InChIKey: GMJWGJSDPOAZTP-MIDYMNAOSA-N

Molecular Formula

  • C47-H51-N-O15

Molecular Weight

  • 869.9119
 
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Names and Synonyms

Results Name

  • 4-Desacetylpaclitaxel 4-methyl carbonate

Name of Substance

  • BMS-188797

Synonyms

  • 4-Desacetylpaclitaxel 4-methyl carbonate
  • BMS 188797
  • BMS188797
  • UNII-0HG7S0S581

Registry Numbers

CAS Registry Number

  • 172481-83-3

FDA UNII

  • 0HG7S0S581

Other Registry Number

  • 427896-23-9

System Generated Number

  • 0172481833

Structure Descriptors

InChI

1S/C47H51NO15/c1-25-30(61-42(55)35(51)34(27-16-10-7-11-17-27)48-40(53)28-18-12-8-13-19-28)23-47(57)39(62-41(54)29-20-14-9-15-21-29)37-45(5,38(52)36(60-26(2)49)33(25)44(47,3)4)31(50)22-32-46(37,24-59-32)63-43(56)58-6/h7-21,30-32,34-37,39,50-51,57H,22-24H2,1-6H3,(H,48,53)/t30-,31-,32+,34-,35+,36+,37-,39-,45+,46-,47+/m0/s1

InChIKey

GMJWGJSDPOAZTP-MIDYMNAOSA-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)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)OC)O)C)OC(=O)C