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Details

Stereochemistry RACEMIC
Molecular Formula C14H12O2
Molecular Weight 212.2439
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOIN, (±)-

SMILES

OC(C(=O)C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=ISAOCJYIOMOJEB-UHFFFAOYSA-N
InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H

HIDE SMILES / InChI

Molecular Formula C14H12O2
Molecular Weight 212.2439
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

Benzoin is an organic compound with the formula PhCHCPh. It is a hydroxy ketone attached to two phenyl groups. It appears as off-white crystals, with a light camphor-like odor. Benzoin is synthesized from benzaldehyde in the benzoin condensation. It is chiral and it exists as a pair of enantiomers: -benzoin and -benzoin. Benzoin is not a constituent of benzoin resin obtained from the benzoin tree (Styrax) or tincture of benzoin. The main component in these natural products is benzoic acid. Benzoin was first reported in 1832 by Justus von Liebig and Friedrich Woehler during their research on oil of bitter almond, which is benzaldehyde with traces of hydrocyanic acid. The catalytic synthesis by the benzoin condensation was improved by Nikolay Zinin during his time with Liebig.

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer

Drug as perpetrator​

Sourcing

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
L7J6A1NE81
Record Status Validated (UNII)
Record Version