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Substance Name: MLN8054 sodium
RN: 869366-15-4
UNII: 931G05H22J
InChIKey: CPUPAOAXNTYRQJ-UHFFFAOYSA-M

Molecular Weight

  • 498.8506
 
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Names and Synonyms

Name of Substance

  • MLN8054 sodium

Synonyms

  • Benzoic acid, 4-((9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)-, monosodium salt
  • Benzoic acid, 4-((9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)-, sodium salt (1:1)
  • UNII-931G05H22J

Registry Numbers

CAS Registry Number

  • 869366-15-4

FDA UNII

  • 931G05H22J

System Generated Number

  • 0869366154

Structure Descriptors

InChI

1S/C25H15ClF2N4O2.Na/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34;/h1-10,12H,11H2,(H,33,34)(H,30,31,32);/q;+1/p-1

InChIKey

CPUPAOAXNTYRQJ-UHFFFAOYSA-M

Smiles

c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)[O-])F.[Na+]