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Substance Name: Rolapitant hydrochloride anhydrous
RN: 858102-79-1
UNII: J7Z9DBN8J0
InChIKey: VEWAWEMXVUFANV-PVBCUUEWSA-N

Note

  • An anti-emetic agent.

Molecular Formula

  • C25-H26-F6-N2-O2.Cl-H

Molecular Weight

  • 536.9413
 
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Names and Synonyms

Name of Substance

  • Rolapitant hydrochloride anhydrous

Synonyms

  • Rolapitant hydrochloride
  • SCH 619734
  • SCH619734
  • UNII-J7Z9DBN8J0

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 858102-79-1

FDA UNII

  • J7Z9DBN8J0

Other Registry Number

  • 943029-75-2

System Generated Number

  • 0858102791

Molecular Formulas

Molecular Formula

  • C25-H26-F6-N2-O2.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C25H26F6N2O2.ClH/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/t16-,22-,23-;/m1./s1

InChIKey

VEWAWEMXVUFANV-PVBCUUEWSA-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.Cl