U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C13H18O
Molecular Weight 190.2814
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBUPROFENAL

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C=O

InChI

InChIKey=DMZVZANOMJGHKO-UHFFFAOYSA-N
InChI=1S/C13H18O/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,9-11H,8H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
IBUPROFENAL
Common Name English
2-(4-ISOBUTYLPHENYL)PROPANAL
Preferred Name English
BENZENEACETALDEHYDE, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-
Systematic Name English
2-(4-ISOBUTYLPHENYL)PROPIONALDEHYDE
Systematic Name English
.ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETALDEHYDE
Systematic Name English
Code System Code Type Description
PUBCHEM
595156
Created by admin on Wed Apr 02 12:51:14 GMT 2025 , Edited by admin on Wed Apr 02 12:51:14 GMT 2025
PRIMARY
CAS
51407-46-6
Created by admin on Wed Apr 02 12:51:14 GMT 2025 , Edited by admin on Wed Apr 02 12:51:14 GMT 2025
PRIMARY
FDA UNII
ALC8A4Q82T
Created by admin on Wed Apr 02 12:51:14 GMT 2025 , Edited by admin on Wed Apr 02 12:51:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID00965721
Created by admin on Wed Apr 02 12:51:14 GMT 2025 , Edited by admin on Wed Apr 02 12:51:14 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of IBUPROFENAL
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966