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Substance Name: Enuvaptan
RN: 2145062-48-0
UNII: L86WO6BIP7
InChIKey: AKFANCNULCXNMQ-ZDUSSCGKSA-N

Molecular Formula

  • C21-H15-Cl-F6-N8-O3

Molecular Weight

  • 576.839
 
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Names and Synonyms

Name of Substance

  • Enuvaptan

Synonyms

  • 1H-1,2,4-Triazole-5-carboxamide, 3-((3-(4-chlorophenyl)-4,5-dihydro-5-oxo-4-((2S)-3,3,3-trifluoro-2-hydroxypropyl)-1H-1,2,4-triazol-1-yl)methyl)-1-(3-(trifluoromethyl)-2-pyridinyl)-
  • 3-((3-(4-Chlorophenyl)-5-oxo-4-((2S)-3,3,3-trifluoro-2- hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1- yl)methyl)-1-(3-(trifluoromethyl)pyridin-2-yl)-1H-1,2,4- triazole-5-carboxamide
  • Enuvaptan
  • Enuvaptan [INN]
  • UNII-L86WO6BIP7

Registry Numbers

CAS Registry Number

  • 2145062-48-0

FDA UNII

  • L86WO6BIP7

System Generated Number

  • 2145062480

Structure Descriptors

InChI

1S/C21H15ClF6N8O3/c22-11-5-3-10(4-6-11)16-33-35(19(39)34(16)8-13(37)21(26,27)28)9-14-31-18(15(29)38)36(32-14)17-12(20(23,24)25)2-1-7-30-17/h1-7,13,37H,8-9H2,(H2,29,38)/t13-/m0/s1

InChIKey

AKFANCNULCXNMQ-ZDUSSCGKSA-N

Smiles

NC(=O)c1nc(CN2N=C(N(C[C@H](O)C(F)(F)F)C2=O)c3ccc(Cl)cc3)nn1c4ncccc4C(F)(F)F