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Substance Name: Alisertib sodium anhydrous
RN: 1028486-06-7
UNII: 23KN826MQ4
InChIKey: AIUYVPGHBMKGAC-UHFFFAOYSA-M

Molecular Weight

  • 540.9121
 
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Names and Synonyms

Name of Substance

  • Alisertib sodium anhydrous

Synonyms

  • Benzoic acid, 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)-2-methoxy-, sodium salt (1:1)
  • UNII-23KN826MQ4

Registry Numbers

CAS Registry Number

  • 1028486-06-7

FDA UNII

  • 23KN826MQ4

System Generated Number

  • 1028486067

Structure Descriptors

InChI

1S/C27H20ClFN4O4.Na/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2;/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33);/q;+1/p-1

InChIKey

AIUYVPGHBMKGAC-UHFFFAOYSA-M

Smiles

COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)[O-])F.[Na+]