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 C17H15NO5
Molecular Weight 313.3047
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PARCETASAL

SMILES

CC(=O)NC1=CC=C(OC2(C)OC(=O)C3=CC=CC=C3O2)C=C1

InChI

InChIKey=ZAPRLADYRFPQSH-UHFFFAOYSA-N
InChI=1S/C17H15NO5/c1-11(19)18-12-7-9-13(10-8-12)21-17(2)22-15-6-4-3-5-14(15)16(20)23-17/h3-10H,1-2H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C17H15NO5
Molecular Weight 313.3047
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
3LSZ7869T2
Record Status Validated (UNII)
Record Version