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CAS 914462-92-3

:

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)-

Description:
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)- is a complex organic compound characterized by its spirocyclic structure, which includes a diaza (two nitrogen atoms) framework. This compound features a phenyl group and a trifluoromethyl-substituted phenyl moiety, contributing to its unique chemical properties and potential biological activity. The presence of the hydrochloride indicates that it is a salt form, which can enhance solubility in aqueous solutions. The hydrate designation suggests that the compound contains water molecules in its crystalline structure, which can influence its stability and solubility. The specific stereochemistry (5S,8S) denotes the spatial arrangement of atoms around the chiral centers, which is crucial for its biological interactions. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development.
Formula:C25H26F6N2O2·ClH·H2O
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
InChI key: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
Synonyms:
  • 1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, monohydrochloride, monohydrate, (5S,8S)-
  • Sch 619734 monohydrate
  • Rolapitant hydrochloride hydrate
  • Rolapitant hydrochloride monohydrate
  • 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)-
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