(S)-(+)-N-3-Benzylnirvanol
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(S)-(+)-N-3-Benzylnirvanol
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CAS No:
790676-40-3
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Formula:
C18H18N2O2
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Chemical Name:
(S)-(+)-N-3-Benzylnirvanol
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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)-
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CAS No:
Safety Information
UN 3077 9/PG 3
3
22-36-50
26-61
Xn,N
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501|Aggregated GHS information provided by 40 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(S)-(+)-N-3-Benzylnirvanol Use and Manufacturing
It is a potent and selective human CYP2C19 inhibitor
Computed Properties
Molecular Weight:294.3
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:294.136827821
Monoisotopic Mass:294.136827821
Topological Polar Surface Area:49.4
Heavy Atom Count:22
Complexity:425
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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