BENZOIN, (±)-

US Previously Marketed

First marketed in 1921

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 Search

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

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.fishersci.com/content/dam/fishersci/en_US/documents/programs/education/regulatory-documents/sds/chemicals/chemicals-b/S25667.pdf
Curator's Comment: description was created based on several sources, including: https://en.wikipedia.org/wiki/Benzoin

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

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
P-gp 1461

Drug as perpetrator

Target	Modality	Activity	Metabolite	Clinical evidence
P-gp 1650	inhibitor 3277 Sources: https://www.karger.com/Article/Abstract/487144	yes

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P007FC1
1PlusChem LLC	1P00HFBS
A2B Chem	AI12216
AK Scientific	G542
Achemo BB	AC-93427
Acros Organics	10551
Alfa Chemistry	A10188
Alfa Chemistry	ACM119539
Alfa Chemistry	ACM900059
Alfa Chemistry	B21559
Alfa Chemistry	B24671
Apollo Scientific	OR5452
BLD Pharm	BD105461
BOC Sciences	119-53-9
BOC Sciences	2593352
BOC Sciences	579-44-2
BOC Sciences	5928-66-5
BOC Sciences	5928-67-6
Bide Pharmatech	BD105461
BlocksMatrix Scientific	135027
Capot Chemical	20784
Chem Scene	CS-W020562
Chem-Impex International	29840
Chemspace	CSC000065390
Chemspace	CSC000065610
Chemspace	CSC000185998
Compound Cloud	640038
Compound Cloud	667422
Compound Cloud	8400
Debye Scientific	DB-018065
Debye Scientific	DB-022585
Enamine	BBV-46875860
Enamine	BBV-77845353
Enamine	BBV-78382097
Enamine	EN300-18095
Fluorochem	235660
Fluorochem	318750
Hairui	HR112181
Hairui	HR138603
Hangzhou APIChem Technology	AC-11139
Hangzhou Yuhao Chemical Technology	JZ3854
Hangzhou Yuhao Chemical Technology	LT4147
HongKong Chemhere	SCE58060
IBScreen	BB_NC-00133
IBScreen	STOCK6S-75879
Lab Network	LN00193676
Life Chemicals	F0001-0307
MolMall	18203
MolPort	MolPort-001-768-888
MolPort	MolPort-019-904-536
Molnova	M17869
MuseChem	R023434
NCI Plated 2007	8082
Nanjing Pope Bio-tech	NSTH-D24166
Norris Pharm	NSTH-D24166
Norris Pharm	NSZB-A115148
Oakwood	235660
PI Chemicals	PI-29726
PI Chemicals	PI-29727
Pharmeks	PHAR293709
Pharmeks	PHBB_NC-00642
Scientific Exchange	F-331005
Sigma Aldrich	459941
Sigma Aldrich	459941\|ALDRICH
Sigma Aldrich	80024
Sigma Aldrich	B8681
Sigma Aldrich	B8681\|ALDRICH
Specs	AE-848/06163047
SynQuest	262999
SynQuest	88247
Synthonix	B69385
TargetMol	T3939
Tetrahedron	TS21321
Tetrahedron	TS44178
Tetrahedron	TS44183
Tetrahedron	TS67579
TimTec	SBB012413
TimTec	ST069353
Toronto Research Chemicals	B204005
Vesino Industrial Co Ltd	VC30235
Vitas-M Laboratory	STK358785
W&J PharmaChem	50A438305
Wonderchem	WD05NEI
Wonderchem	WD05YOO
Wonderchem	WD06DGI
Wonderchem	WD06EP1
Wonderchem	WD06JI5
ZINC	ZINC000000000076	http://zinc15.docking.org/substances/ZINC000000000076
ZINC	ZINC000000236100	http://zinc15.docking.org/substances/ZINC000000236100
eMolecules	205746672
eMolecules	25692193
eMolecules	26753045
eMolecules	479815
eNovation Chemicals	D754157
mcule	MCULE-7039379354

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:52:47 UTC 2023` Edited by `admin` on `Fri Dec 15 15:52:47 UTC 2023`
Record UNII	L7J6A1NE81
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZOIN, (±)-

Common Name

English

BENZOIN [MI]

Common Name

English

2-HYDROXY-1,2-DIPHENYLETHAN-1-ONE

Systematic Name

English

2-HYDROXY-1,2-DIPHENYLETHANONE

Systematic Name

English

DL-BENZOIN

Common Name

English

BENZOYLPHENYLCARBINOL

Common Name

English

(±)-2-HYDROXY-1,2-DIPHENYLETHANONE

Systematic Name

English

NSC-8082

Code

English

DESYL ALCOHOL

Common Name

English

FEMA NO. 2132

Code

English

Classification Tree Code System Code

CFR

21 CFR 172.515