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Substance Name: Dapitant [INN]
RN: 153438-49-4
UNII: NRD5XF638P
InChIKey: CCIWVEMVBWEMCY-RCFOMQFPSA-N

Note

  • A non-peptide selective antagonist of human NK1 receptors; a 7,7,4-triarylperhydroisoindol-4-ol; RPR 103253 is an enantiomer of RPR 100893; Dapitant is tradename.

Molecular Weight

  • 561.718
 
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Names and Synonyms

Name of Substance

  • Dapitant [INN]
  • RPR 100893

Synonyms

  • (3aS,4S,7aS)-Hexahydro-2-((alphaS)-o-methoxyhydratropoyl)-4-(o-methoxyphenyl)-7,7-diphenyl-4-isoindolinol
  • Dapitant
  • Rpr 103253
  • Rpr-100893
  • UNII-NRD5XF638P

Systematic Name

  • 1H-Isoindol-4-ol, octahydro-4-(2-methoxyphenyl)-2-(2-(2-methoxyphenyl)-1-oxopropyl)-7,7-diphenyl-, (3aS-(2(R*),3aalpha,4beta,7aalpha))-

Registry Numbers

CAS Registry Number

  • 153438-49-4

FDA UNII

  • NRD5XF638P

System Generated Number

  • 0153438494

Structure Descriptors

InChI

1S/C37H39NO4/c1-26(29-18-10-12-20-33(29)41-2)35(39)38-24-31-32(25-38)37(40,30-19-11-13-21-34(30)42-3)23-22-36(31,27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-21,26,31-32,40H,22-25H2,1-3H3/t26-,31-,32+,37+/m0/s1

InChIKey

CCIWVEMVBWEMCY-RCFOMQFPSA-N

Smiles

C1N(C[C@H]2[C@](CCC([C@@H]12)(c1ccccc1)c1ccccc1)(O)c1c(cccc1)OC)C([C@@H](C)c1c(cccc1)OC)=O