ChemicalBook--->CAS DataBase List--->552292-08-7

552292-08-7

552292-08-7 Structure

552292-08-7 Structure
IdentificationBack Directory
[Name]

Rolapitant
[CAS]

552292-08-7
[Synonyms]

SCH619734
Rolapitant
Rolapitant-d4
Rolapitant HCl
Rolapitant USP/EP/BP
Rolapitant(sch619734)
rolapitant,914462-92-3
(5S,8S)-8-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
(5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one
1,7-Diazaspiro[4.5]decan-2-one,8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-,(5S,8S)-
(5S,8S)-8-[[[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl]oxy]methyl]-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
(5S,8S)-8-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one hydrochloride.
[EINECS(EC#)]

812-147-5
[Molecular Formula]

C25H26F6N2O2
[MDL Number]

MFCD23105917
[MOL File]

552292-08-7.mol
[Molecular Weight]

500.48
Chemical PropertiesBack Directory
[Boiling point ]

523.5±50.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 25 mg/ml; DMF:PBS(pH7.2) (1:2): 0.33 mg/ml; DMSO: 16 mg/ml; Ethanol: 3 mg/ml
[form ]

Powder
[pka]

15.88±0.40(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS08
[Signal word ]

Warning
[Hazard statements ]

H361
[Precautionary statements ]

P201-P202-P281-P308+P313-P405-P501
Hazard InformationBack Directory
[Definition]

ChEBI: An azaspiro compound that is 1,7-diazaspiro[4.5]decan-2-one carrying additional phenyl and 1-{[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl substituents at position 8. Used (in the form of the hydrochloride hydrate) for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Rolapitant(552292-08-7)1HNMR
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