Ethyl mandelate

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H12O3
Molecular Weight	180.2005
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl mandelate

Structure Search

SMILES

CCOC(=O)C(O)C1=CC=CC=C1

InChI

InChIKey=SAXHIDRUJXPDOD-UHFFFAOYSA-N

InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H12O3
Molecular Weight	180.2005
Charge	0
Count

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
(S)-mandelate dehydrogenase from Pseudomonas putida 1 Target ID: (S)-mandelate dehydrogenase from Pseudomonas putida Sources: https://www.ncbi.nlm.nih.gov/pubmed/14967029	Substrate 661

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:25:38 GMT 2025` Edited by `admin` on `Wed Apr 02 21:25:38 GMT 2025`
Record UNII	HB863RG3P8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-5307

Preferred Name

English

Ethyl mandelate

Systematic Name

English

Ethyl mandelate, (±)-

Systematic Name

English

Ethyl ?-hydroxybenzeneacetate

Systematic Name

English

Ethyl ?-hydroxyphenylacetate

Systematic Name

English

Benzeneacetic acid, ?-hydroxy-, ethyl ester

Systematic Name

English

(±)-Ethyl mandelate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID6057829

Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025

PRIMARY

PUBCHEM

13050

Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025

PRIMARY

ECHA (EC/EINECS)

212-263-0

Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025

PRIMARY

CAS

774-40-3

Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025

PRIMARY

FDA UNII

HB863RG3P8

Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025

PRIMARY

NSC

5307

Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025

PRIMARY

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Ethyl mandelate, (S)-

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Amount: