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Substance Name: Vestipitant [INN]
RN: 334476-46-9
UNII: S052TOI9BI
InChIKey: SBBYBXSFWOLDDG-JLTOFOAXSA-N

Classification Codes

  • Neurokinin-1 Receptor Antagonists
  • Neurotransmitter Agents

Molecular Formula

  • C23-H24-F7-N3-O

Molecular Weight

  • 491.4486
 
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Names and Synonyms

Name of Substance

  • Vestipitant [INN]

Synonyms

  • UNII-S052TOI9BI
  • Vestipitant

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 334476-46-9

FDA UNII

  • S052TOI9BI

System Generated Number

  • 0334476469

Structure Descriptors

InChI

1S/C23H24F7N3O/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/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1

InChIKey

SBBYBXSFWOLDDG-JLTOFOAXSA-N

Smiles

C[C@@H](N(C)C(=O)N1CCNC[C@@H]1c2ccc(F)cc2C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F