ChemicalBook--->CAS DataBase List--->28936-94-9

28936-94-9

28936-94-9 Structure

28936-94-9 Structure
IdentificationBack Directory
[Name]

8-BENZYL-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONE
[CAS]

28936-94-9
[Synonyms]

8-BENZYL-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONE
8-(benzyl)-1,3,8-triazaspiro[4.5]decane-2,4-quinone
8-(Phenylmethyl)-1,3,8-triazaspiro(4.5)decane-2,4-dione
8-(phenylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-(phenylmethyl)-
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C14H17N3O2
[MDL Number]

MFCD00793797
[MOL File]

28936-94-9.mol
[Molecular Weight]

259.3
Chemical PropertiesBack Directory
[Melting point ]

259-261 °C
[density ]

1.29±0.1 g/cm3(Predicted)
[refractive index ]

1.628
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

10.07±0.20(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C14H17N3O2/c18-12-14(16-13(19)15-12)6-8-17(9-7-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16,18,19)
[InChIKey]

ISFXLJGTXHSNDU-UHFFFAOYSA-N
[SMILES]

N1C2(CCN(CC3=CC=CC=C3)CC2)C(=O)NC1=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is a pharmaceutical intermediate compound that can be used to prepare biologically active compounds. Studies have shown that 1,3, 8-triazo [4.5] decane-2, 4-dione is a novel chemical type of agonist with DOR selectivity. δ -opioid receptors (DOR) are potential targets for the treatment of neurological and mental disorders. These agonists are similar to 1,3, 8-triazo [4.5] decane-4-one analogues and have been reported to be weakly selective NOR agonists with moderate binding affinity for DOR, MOR and KOR.
[Uses]

8-Benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is a useful research reagent used in the synthesis of spirohydantoins from basic heterocyclic ketones.
[Toxicology]

mouse: LD > 800 mg/kg (oral)
Spectrum DetailBack Directory
[Spectrum Detail]

8-BENZYL-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONE(28936-94-9)1HNMR
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