Basic information Safety Supplier Related

(S)-(+)-N-3-Benzylnirvanol

Basic information Safety Supplier Related

(S)-(+)-N-3-Benzylnirvanol Basic information

Product Name:
(S)-(+)-N-3-Benzylnirvanol
Synonyms:
  • (S)-(+)-N-3-Benzylnirvanol
  • (5S)-5-ethyl-5-phenyl-3-(phenylmethyl)-2,4-imidazolidinedione, 5-ethyl-5-phenyl-3-(phenylmethyl)-hydantoin
  • (5S)-5-Ethyl-5-phenyl-3-(phenylmethyl)-2,4-imidazolidinedione
  • 5-ethyl-5-phenyl-3-(phenylmethyl)-hydantoin
  • (S)-(+)-Benzylnirvanol
  • (+)-N-3-BENZYL NIRVANOL
  • (S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
  • 2,4-Imidazolidinedione, 5-ethyl-5-phenyl-3-(phenylmethyl)-, (5S)-
CAS:
790676-40-3
MF:
C18H18N2O2
MW:
294.35
Product Categories:
  • All Inhibitors
  • Inhibitors
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
Mol File:
790676-40-3.mol
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(S)-(+)-N-3-Benzylnirvanol Chemical Properties

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
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Safety Information

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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(S)-(+)-N-3-Benzylnirvanol Usage And Synthesis

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)

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