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Substance Name: Vestipitant Mesylate [USAN]
RN: 334476-64-1
UNII: OWR424W90Q
InChIKey: BHECXGHXWKHZOY-DXPOFMJKSA-N

Classification Codes

  • Antidepressant/Anti-Anxiety
  • Prevention of Nausea and Vomiting
  • Used in the Treatment of Functional Dyspepsia, Irritable Bowel Syndrome and GERD

Molecular Formula

  • C23-H24-F7-N3-O.C-H4-O3-S

Molecular Weight

  • 587.5542
 
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Names and Synonyms

Name of Substance

  • Vestipitant Mesylate [USAN]

Synonyms

  • ( )-(2S)-N-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide methanesulfonate
  • GW 597599
  • GW 597599B
  • GW597588B
  • GW597599B
  • UNII-OWR424W90Q
  • Vestipitant Mesylate

Systematic Name

  • 1-Piperazinecarboxamide, N-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-, (2S)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 334476-64-1

FDA UNII

  • OWR424W90Q

System Generated Number

  • 0334476641

Molecular Formulas

Molecular Formula

  • C23-H24-F7-N3-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C23-H24-F7-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C23H24F7N3O.CH4O3S/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30;1-5(2,3)4/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3;1H3,(H,2,3,4)/t14-,20-;/m1./s1

InChIKey

BHECXGHXWKHZOY-DXPOFMJKSA-N

Smiles

Cc1cc(ccc1[C@H]2CNCCN2C(=O)N(C)[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)F.CS(=O)(=O)O