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Substance Name: Valategrast [INN]
RN: 220847-86-9
UNII: 06DM4KX7JG
InChIKey: VZVNFRFMDNFPOM-VWLOTQADSA-N

Molecular Formula

  • C30-H32-Cl3-N3-O4

Molecular Weight

  • 604.9588
 
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Names and Synonyms

Name of Substance

  • Valategrast [INN]

Synonyms

  • 2-(Diethylamino)ethyl N-(2-chloro-6-methylbenzoyl)-4-(2,6-dichlorobenzamido)-L-phenylalaninate
  • UNII-06DM4KX7JG
  • Valategrast

Registry Numbers

CAS Registry Number

  • 220847-86-9

FDA UNII

  • 06DM4KX7JG

System Generated Number

  • 0220847869

Structure Descriptors

InChI

1S/C30H32Cl3N3O4/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37)/t25-/m0/s1

InChIKey

VZVNFRFMDNFPOM-VWLOTQADSA-N

Smiles

CCN(CC)CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c3c(C)cccc3Cl