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Substance Name: Birabresib dihydrate
RN: 204587-26-8
UNII: 4Q356KA5V2
InChIKey: LZLFEVJSMKCZGE-FJSYBICCSA-N

Molecular Formula

  • C25-H22-Cl-N5-O2-S.2H2-O

Molecular Weight

  • 528.0304
 
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Names and Synonyms

Name of Substance

  • Birabresib dihydrate

Synonyms

  • 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, hydrate (1:2), (6S)-
  • Birabresib dihydrate
  • MK-8628 dihydrate
  • OTX-015 dihydrate
  • OTX015 dihydrate
  • UNII-4Q356KA5V2
  • Y-803

Registry Numbers

CAS Registry Number

  • 204587-26-8

FDA UNII

  • 4Q356KA5V2

System Generated Number

  • 0204587268

Structure Descriptors

InChI

1S/C25H22ClN5O2S.2H2O/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18;;/h4-11,20,32H,12H2,1-3H3,(H,27,33);2*1H2/t20-;;/m0../s1

InChIKey

LZLFEVJSMKCZGE-FJSYBICCSA-N

Smiles

O.O.Cc1sc2c(C(=N[C@@H](CC(=O)Nc3ccc(O)cc3)c4nnc(C)n24)c5ccc(Cl)cc5)c1C