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Substance Name: 2-(5-Cyano-2-(6-(methoxycarbonyl)-7-methyl-3-oxo-8-(3-(trifluoromethyl)phenyl)-2,3,5,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrimidin-5-yl)phenyl)-N,N,N-trimethylethanaminium
RN: 1613620-10-2
UNII: 00174624E2
InChIKey: IHTRPSMRGYWUIM-HSZRJFAPSA-O

Molecular Formula

  • C27-H28-F3-N6-O3

Molecular Weight

  • 541.5512
 
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Names and Synonyms

Name of Substance

  • 2-(5-Cyano-2-(6-(methoxycarbonyl)-7-methyl-3-oxo-8-(3-(trifluoromethyl)phenyl)-2,3,5,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrimidin-5-yl)phenyl)-N,N,N-trimethylethanaminium

Synonyms

  • (R)-2-(5-Cyano-2-(6-(methoxycarbonyl)-7-methyl-3-oxo-8-(3-(trifluoromethyl)phenyl)-2,3,5,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrimidin-5-yl)phenyl)-N,N,N-trimethylethanaminium
  • (R)-2-(5-Cyano-2-(6-(methoxycarbonyl)-7-methyl-3-oxo-8-(3-(trifluoromethyl)phenyl)-2,3,5,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrimidin-5-yl)phenyl)-N,N,N-trimethylethanaminium ion
  • 2-(5-Cyano-2-(6-(methoxycarbonyl)-7-methyl-3-oxo-8-(3-(trifluoromethyl)phenyl)-2,3,5,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrimidin-5-yl)phenyl)-N,N,N-trimethylethanaminium
  • Benzeneethanaminium, 5-cyano-N,N,N-trimethyl-2-((5R)-2,3,5,8-tetrahydro-6-(methoxycarbonyl)-7-methyl-3-oxo-8-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-a)pyrimidin-5-yl)-
  • UNII-00174624E2

Registry Numbers

CAS Registry Number

  • 1613620-10-2

FDA UNII

  • 00174624E2

System Generated Number

  • 1613620102

Structure Descriptors

InChI

1S/C27H27F3N6O3/c1-16-22(24(37)39-5)23(21-10-9-17(15-31)13-18(21)11-12-36(2,3)4)35-25(32-33-26(35)38)34(16)20-8-6-7-19(14-20)27(28,29)30/h6-10,13-14,23H,11-12H2,1-5H3/p+1/t23-/m1/s1

InChIKey

IHTRPSMRGYWUIM-HSZRJFAPSA-O

Smiles

COC(=O)C1=C(C)N(C2=NNC(=O)N2[C@@H]1c3ccc(cc3CC[N+](C)(C)C)C#N)c4cccc(c4)C(F)(F)F