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

Name: (S)-(+)-N-3-Benzylnirvanol
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CAS No. 790676-40-3
Cat. No. CS-W013984
Molecule weight294.35
Purity≥98%
MDL No.MFCD09840024

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Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 790676-40-3
Cat. No. CS-W013984
Purity ≥98%
MDL No. MFCD09840024
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₁₈N₂O₂
Molecular Weight 294.35
Synonym(s) (+)-N-3-Benzylnirvanol
SMILES CC[C@]1(C2=CC=CC=C2)C(N(C(N1)=O)CC3=CC=CC=C3)=O

Application

(+)-N-3-Benzylnirvanol (CAS 790676-40-3) inhibits cytochrome P450 2C19 in cocktail and individual substrate screening assays, enabling precise assessment of metabolic inhibition potency. It serves as a benchmark for CYP2C19 selectivity. Researchers use this compound to dissect enzyme-specific interactions in suspended human hepatocytes, revealing distinct inhibition profiles across CYP and non-CYP pathways.

Safety Information

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GHS Pictogram :	GHS No : GHS07,GHS08,GHS09
Signal Word : Danger	UN#: 3077
Class : 9	Packing Group : Ⅲ
Hazard Statements : H302-H319-H372-H400
Precautionary Statements : P260-P264-P270-P273-P280-P330-P391-P501

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Computational Chemistry Data

TPSA 49.41
LogP 3.0439
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Imidazolidin compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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

CAS No. 790676-40-3

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