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Substance Name: Rolapitant hydrochloride [USAN]
RN: 914462-92-3
UNII: 57O5S1QSAQ
InChIKey: GZQWMYVDLCUBQX-WVZIYJGPSA-N

Note

  • An anti-emetic agent.

Classification Code

  • Prevention of Nausea and Vomiting

Molecular Formula

  • C25-H26-F6-N2-O2.Cl-H.H2-O

Molecular Weight

  • 554.9561
 
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Names and Synonyms

Name of Substance

  • Rolapitant hydrochloride [USAN]

Synonyms

  • (5S,8S)-8-(((1R)-1-(3,5-bis(Trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4.5)decan-2-one monohydrochloride monohydrate
  • Rolapitant HCl
  • Rolapitant hydrochloride
  • SCH 619734
  • SCH619734
  • UNII-57O5S1QSAQ
  • Varubi

Systematic Name

  • 1,7-Diazaspiro(4.5)decan-2-one, 8-(((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-, monohydrochloride, monohydrate, (5S,8S)-

Registry Numbers

CAS Registry Number

  • 914462-92-3

FDA UNII

  • 57O5S1QSAQ

System Generated Number

  • 0914462923

Molecular Formulas

Molecular Formula

  • C25-H26-F6-N2-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C25-H26-F6-N2-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H26F6N2O2.ClH.H2O/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H;1H2/t16-,22-,23-;;/m1../s1

InChIKey

GZQWMYVDLCUBQX-WVZIYJGPSA-N

Smiles

C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)c4ccccc4.O.Cl