BENZYL MANDELATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C15H14O3
Molecular Weight	242.2699
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(C(=O)OCC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=JFKWZVQEMSKSBU-UHFFFAOYSA-N

InChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2

HIDE SMILES / InChI

Molecular Formula	C15H14O3
Molecular Weight	242.2699
Charge	0
Count

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

Description
Sources: http://jpet.aspetjournals.org/content/21/6/443/tab-article-info | http://www.medicatione.com/?c=drug&s=spasmocor&ingredient=benzyl%20mandelate/nitroglycerin/pentaerithrityl%20tetranitrate/vitamin%20b3%20(nicotinic%20acid)

Benzyl mandelate is of comparatively low toxicity on the one hand and is pharmacologically effective on the other hand. The most important pharmacological action of the drug is on smooth muscle. Benzyl mandelate has been used for its antispasmodic actions. It has also been included in preparations with analgesics in an attempt to increase the analgesic effect. Drugs with benzyl maleate were indicated for the angina prevention and for pain condition treatment.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Angina 34 Sources: http://www.catalog.md/drugs/spasmocor.html	Preventing		Approved 8583	Spasmocor Approved Use Spasmocor is indicated for the prevention of angina
Pain 619 Sources: http://www.ndrugs.com/?s=fohnetten%20n&t=dosage	Primary		Approved 8583	Fohnetten N Approved Use Unknown

PubMed

Title	Date	PubMed
Characterization of binding affinities in a chromatographic system by suspended state HR/MAS NMR spectroscopy.	2010-02	19950216
Simultaneous determination of neopynamine and piperonyl butoxide by capillary column gas-liquid chromatography.	1984-05	6725494
Relationship of molecular structure to in vivo scintigraphic distribution of carbon-11-labeled compounds. 4. Carbon-11-labeled mandelonitriles, Mandelic acids, and their esters.	1978-02	621717
[The metabolism of benzyl mandelate].	1977	907650

Patents

Sample Use Guides

In Vivo Use Guide

65-130 mg

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:49:33 GMT 2025` Edited by `admin` on `Mon Mar 31 17:49:33 GMT 2025`
Record UNII	2QN49PWH71
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZYLMANDELATE

Preferred Name

English

BENZYL MANDELATE

Common Name

English

(RS)-BENZYL MANDELATE

Common Name

English

BENZYL-DL-MANDELATE

Common Name

English

BENZYL MANDELATE [MART.]

Common Name

English

Benzylmandelate [WHO-DD]

Common Name

English

BENZYL PHENYLGLYCOLATE

Systematic Name

English

NSC-9522

Code

English

Code System Code Type Description

SMS_ID

100000077163