1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, hydrochloride, hydrate (1:1:1), (5S,8S)-

CAS Registry Number®

914462-92-3
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CAS Name

1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, hydrochloride, hydrate (1:1:1), (5S,8S)-

Molecular Formula

C25H26F6N2O2.ClH.H2O

Cite this Page

1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, hydrochloride, hydrate (1:1:1), (5S,8S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=914462-92-3 (retrieved 2024-05-06) (CAS RN: 914462-92-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=GZQWMYVDLCUBQX-WVZIYJGPSA-N

SMILES

C(O[C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@]2(CC[C@]3(CN2)NC(=O)CC3)C4=CC=CC=C4.Cl.O

Canonical SMILES

Cl.O=C1NC2(CNC(C=3C=CC=CC3)(COC(C=4C=C(C=C(C4)C(F)(F)F)C(F)(F)F)C)CC2)CC1.O

Other Names for this Substance

  • 1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, hydrochloride, hydrate (1:1:1), (5S,8S)-
  • 1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, monohydrochloride, monohydrate, (5S,8S)-
  • Rolapitant hydrochloride monohydrate
  • Rolapitant hydrochloride hydrate
  • Sch 619734 monohydrate

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