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Substance Name: Vofopitant dihydrochloride [USAN]
RN: 168266-51-1
UNII: 53187BIJ00
InChIKey: YVNRXILPJNISEM-FFUVTKDNSA-N

Note

  • Substance P antagonist.

Classification Code

  • Antiemetic (Tachykinin NK1 Receptor Antagonist)

Molecular Formula

  • C21-H23-F3-N6-O.2Cl-H

Molecular Weight

  • 505.3695
 
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Names and Synonyms

Name of Substance

  • Substance P (6-11), Tyr(6)-D-Phe(7)-D-His(9)-
  • Vofopitant dihydrochloride [USAN]

Synonyms

  • (2S,3S)-3-((2-Methoxy-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)benzyl)amino)-2-phenylpiperidine dihydrochloride
  • 3-Piperidinamine, N-((2-methoxy-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)phenyl)methyl)-2-phenyl-, dihydrochloride, (2S-cis)-
  • GR205171A
  • UNII-53187BIJ00
  • Vofopitant dihydrochloride
  • Vofopitant HCl

Systematic Name

  • 3-Piperidinamine, N-((2-methoxy-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)phenyl)methyl)-2-phenyl-, dihydrochloride, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 168266-51-1

FDA UNII

  • 53187BIJ00

System Generated Number

  • 0168266511

Molecular Formulas

Molecular Formula

  • C21-H23-F3-N6-O.2Cl-H

Molecular Formula Fragments

  • C21-H23-F3-N6-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23F3N6O.2ClH/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14;;/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3;2*1H/t17-,19-;;/m0../s1

InChIKey

YVNRXILPJNISEM-FFUVTKDNSA-N

Smiles

N1CCC[C@@H]([C@@H]1c1ccccc1)NCc1c(ccc(c1)n1nnnc1C(F)(F)F)OC.Cl.Cl