U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C9H10O3
Molecular Weight 166.1739
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TROPIC ACID

SMILES

OCC(C(O)=O)C1=CC=CC=C1

InChI

InChIKey=JACRWUWPXAESPB-UHFFFAOYSA-N
InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

HIDE SMILES / InChI

Description

Tropic acid (Tropate) is a chiral substance, existing as either a racemic mixture or as a single enantiomer. Tropate is classified as a beta hydroxy acid or a Beta hydroxy acid derivative. Beta hydroxy acids are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Tropate is considered to be soluble (in water) and acidic. Tropate can be synthesized from hydratropic acid and propionic acid. Tropate can be synthesized into tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate. Tropic acid is proposed be used topicaly for the treatment of wrinkles.

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
ORAL RAT LD50 >5000 mg/kg
Route of Administration: Oral
In Vitro Use Guide
Incubation of 3 umol of dl-tropic acid and 3 umol of NAD1 with 0.5 mg of crude extract protein in glycine-NaOH buffer, pH 9.5, at 30 degrees C for 20 min, followed by diethyl ether extraction and GC-MS analysis, revealed phenylacetic acid to be the major product.