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

Details

Stereochemistry RACEMIC
Molecular Formula C25H33ClN2O2
Molecular Weight 428.995
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOBUPROFEN

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCN2CCN(CC2)C3=CC(Cl)=CC=C3

InChI

InChIKey=JFGXBHHLHQAGRR-UHFFFAOYSA-N
InChI=1S/C25H33ClN2O2/c1-19(2)17-21-7-9-22(10-8-21)20(3)25(29)30-16-15-27-11-13-28(14-12-27)24-6-4-5-23(26)18-24/h4-10,18-20H,11-17H2,1-3H3

HIDE SMILES / InChI

Sample Use Guides

Name Type Language
LOBUPROFEN
INN  
INN  
Official Name English
lobuprofen [INN]
Common Name English
2-(4-(M-CHLOROPHENYL)-1-PIPERAZINYL)ETHYL (±)-P-ISOBUTYLHYDRATROPATE
Common Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, 2-(4-(3-CHLOROPHENYL)-1-PIPERAZINYL)ETHYL ESTER
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Fri Dec 15 16:14:57 GMT 2023 , Edited by admin on Fri Dec 15 16:14:57 GMT 2023
Code System Code Type Description
PUBCHEM
175781
Created by admin on Fri Dec 15 16:14:57 GMT 2023 , Edited by admin on Fri Dec 15 16:14:57 GMT 2023
PRIMARY
NCI_THESAURUS
C80559
Created by admin on Fri Dec 15 16:14:57 GMT 2023 , Edited by admin on Fri Dec 15 16:14:57 GMT 2023
PRIMARY
CAS
98207-12-6
Created by admin on Fri Dec 15 16:14:57 GMT 2023 , Edited by admin on Fri Dec 15 16:14:57 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107442
Created by admin on Fri Dec 15 16:14:57 GMT 2023 , Edited by admin on Fri Dec 15 16:14:57 GMT 2023
PRIMARY
EVMPD
SUB08545MIG
Created by admin on Fri Dec 15 16:14:57 GMT 2023 , Edited by admin on Fri Dec 15 16:14:57 GMT 2023
PRIMARY
INN
5732
Created by admin on Fri Dec 15 16:14:57 GMT 2023 , Edited by admin on Fri Dec 15 16:14:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID90913377
Created by admin on Fri Dec 15 16:14:57 GMT 2023 , Edited by admin on Fri Dec 15 16:14:57 GMT 2023
PRIMARY
FDA UNII
X2T6O1TUNX
Created by admin on Fri Dec 15 16:14:57 GMT 2023 , Edited by admin on Fri Dec 15 16:14:57 GMT 2023
PRIMARY
SMS_ID
100000082530
Created by admin on Fri Dec 15 16:14:57 GMT 2023 , Edited by admin on Fri Dec 15 16:14:57 GMT 2023
PRIMARY