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)-

Rolapitant hydrochloride monohydrate

CAS: 914462-92-3

Formula: C₂₅H₂₉ClF₆N₂O₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 554.9528

Ref: IN-DA01E9K2

Rolapitant Hydrochloride Hydrate

CAS: 914462-92-3

Rolapitant Hydrochloride Hydrate

Purity: 98%

Molecular weight: 554.95g/mol

Ref: 54-PC108847

Rolapitant hydrochloride hydrate

CAS: 914462-92-3

Rolapitant (SCH-619734) is a selective NK1-receptor antagonist that may prevent nausea and vomiting induced by chemotherapy.

Formula: C₂₅H₂₉ClF₆N₂O₃

Color and Shape: Solid

Molecular weight: 554.95

Ref: TM-T68371

Rolapitant hydrochloride monohydrate

CAS: 914462-92-3

Neurokinin-1 (NK-1) receptor antagonist

Formula: C₂₅H₂₇ClF₆N₂O₂·H₂O

Purity: Min. 95%

Color and Shape: White To Off-White Solid

Molecular weight: 554.95 g/mol

Ref: 3D-FR162254