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Substance Name: 6-Hydroxytaxol
RN: 153212-75-0
UNII: P97L07N47V
InChIKey: NDCWHEDPSFRTDA-FJMWQILYSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C47-H51-N-O15

Molecular Weight

  • 869.9119
 
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Names and Synonyms

Name of Substance

  • 6-Hydroxytaxol

Synonyms

  • 6-Hydroxypaclitaxel
  • 6-Hydroxytaxol
  • 6alpha-Hydroxytaxol
  • beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl
  • UNII-P97L07N47V

Systematic Name

  • Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl e

Registry Numbers

CAS Registry Number

  • 153212-75-0

FDA UNII

  • P97L07N47V

Other Registry Numbers

  • 153720-55-9
  • 172228-55-6

System Generated Number

  • 0153212750

Structure Descriptors

InChI

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

InChIKey

NDCWHEDPSFRTDA-FJMWQILYSA-N

Smiles

CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccccc4)NC(=O)c5ccccc5)O)O)OC(=O)c6ccccc6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C