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Substance Name: 7-Methyl docetaxel
RN: 1420767-25-4
UNII: FX7R2617C2
InChIKey: CIHAXHLPSYZREI-BGKJQISDSA-N

Molecular Formula

  • C44-H55-N-O14

Molecular Weight

  • 821.9115
 
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Names and Synonyms

Name of Substance

  • 7-Methyl docetaxel

Synonyms

  • 10-Demethyl cabazitaxel
  • 7-Methyl docetaxel
  • RPR-123142
  • RPR123142
  • UNII-FX7R2617C2

Registry Numbers

CAS Registry Number

  • 1420767-25-4

FDA UNII

  • FX7R2617C2

System Generated Number

  • 1420767254

Structure Descriptors

InChI

InChI=1S/C44H55NO14/c1-23-27(56-38(51)33(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)32(47)30(23)41(44,6)7)28(54-9)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

CIHAXHLPSYZREI-BGKJQISDSA-N

Smiles

CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[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@@H](O)C(=O)[C@]13C)C5(C)C)C