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Substance Name: 10-Methyl docetaxel
RN: 160084-81-1
UNII: FU44O0K8DA
InChIKey: KWXAADKMZIJIMH-BGKJQISDSA-N

Molecular Formula

  • C44-H55-N-O14

Molecular Weight

  • 821.9115
 
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Names and Synonyms

Name of Substance

  • 10-Methyl docetaxel

Synonyms

  • 10-Methyl docetaxel
  • 7-Demethyl cabazitaxel
  • RPR-112698
  • RPR112698
  • UNII-FU44O0K8DA

Registry Numbers

CAS Registry Number

  • 160084-81-1

FDA UNII

  • FU44O0K8DA

System Generated Number

  • 0160084811

Structure Descriptors

InChI

1S/C44H55NO14/c1-23-27(56-38(51)32(48)31(25-16-12-10-13-17-25)45-39(52)59-40(3,4)5)21-44(53)36(57-37(50)26-18-14-11-15-19-26)34-42(8,35(49)33(54-9)30(23)41(44,6)7)28(47)20-29-43(34,22-55-29)58-24(2)46/h10-19,27-29,31-34,36,47-48,53H,20-22H2,1-9H3,(H,45,52)/t27-,28-,29+,31-,32+,33+,34-,36-,42+,43-,44+/m0/s1

InChIKey

KWXAADKMZIJIMH-BGKJQISDSA-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)OC