| Identification | Back Directory | [Name]
(S)-(+)-N-3-Benzylnirvanol | [CAS]
790676-40-3 | [Synonyms]
(S)-(+)-Benzylnirvanol
(S)-(+)-N-3-Benzylnirvanol
5-ethyl-5-phenyl-3-(phenylmethyl)-hydantoin
(5S)-5-Ethyl-5-phenyl-3-(phenylmethyl)-2,4-imidazolidinedione
(5S)-5-ethyl-5-phenyl-3-(phenylmethyl)-2,4-imidazolidinedione, 5-ethyl-5-phenyl-3-(phenylmethyl)-hydantoin | [Molecular Formula]
C18H18N2O2 | [MDL Number]
MFCD09840024 | [MOL File]
790676-40-3.mol | [Molecular Weight]
294.352 |
| Chemical Properties | Back Directory | [Appearance]
Off-White Solid | [Melting point ]
147-1500C | [density ]
1.190±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: >20mg/mL | [form ]
powder | [pka]
8.02±0.70(Predicted) | [color ]
Off-white to light yellow | [InChI]
1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)/t18-/m0/s1 | [InChIKey]
ZMZDHUHMXXALFX-SFHVURJKSA-N | [SMILES]
CC[C@]1(NC(=O)N(Cc2ccccc2)C1=O)c3ccccc3 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Solid | [Uses]
It is a potent and selective human CYP2C19 inhibitor | [Biochem/physiol Actions]
(+)-N-3-Benzyl-nirvanol is a potent selective CYP2C19 inhibitor. CYP2C19 has a high frequency of drug resistance; highly polymorphic. | [IC 50]
CYP2C19: 250 nM (Ki) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N | [Risk Statements ]
22-36-50 | [Safety Statements ]
26-61 | [RIDADR ]
UN 3077 9/PG 3 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Acute 1
Eye Irrit. 2 |
|
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