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Substance Name: Cenisertib benzoate
RN: 1145859-64-8
UNII: S68QU67MAZ
InChIKey: MZPZKZPRYUOUIW-MCOAATBNSA-N

Molecular Weight

  • 573.6694
 
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Names and Synonyms

Name of Substance

  • Cenisertib benzoate

Synonyms

  • (1S,2S,3R,4R)-3-(5-Fluoro-2-(3-methyl-4-(4-methylpiperazin-1-yl)-phenylamino)-pyrimidin-4-ylamino)bicycle(2.2.1)hept-5-ene-2-carboxamide benzoate
  • AS-703569 benzoate
  • Bicyclo(2.2.1)hept-5-ene-2-carboxamide, 3-((5-fluoro-2-((3-methyl-4-(4-methyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)amino)-, (1S,2S,3R,4R)-, benzoate
  • MSC-1992371A
  • R-763 benzoate
  • UNII-S68QU67MAZ

Registry Numbers

CAS Registry Number

  • 1145859-64-8

FDA UNII

  • S68QU67MAZ

System Generated Number

  • 1145859648

Structure Descriptors

InChI

1S/C24H30FN7O.C7H6O2/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33;8-7(9)6-4-2-1-3-5-6/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30);1-5H,(H,8,9)/t15-,16+,20+,21-;/m1./s1

InChIKey

MZPZKZPRYUOUIW-MCOAATBNSA-N

Smiles

CN1CCN(CC1)c2ccc(Nc3ncc(F)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(=O)N)n3)cc2C.OC(=O)c6ccccc6