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Details

Stereochemistry RACEMIC
Molecular Formula C16H18O3
Molecular Weight 258.3123
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PELUBIPROFEN

SMILES

CC(C(O)=O)C1=CC=C(\C=C2/CCCCC2=O)C=C1

InChI

InChIKey=AUZUGWXLBGZUPP-GXDHUFHOSA-N
InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+

HIDE SMILES / InChI

Approval Year

Name Type Language
PELUBIPROFEN
INN   JAN   WHO-DD  
INN  
Official Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-4-((2-OXOCYCLOHEXYLIDENE)METHYL)-, (E)-
Common Name English
Pelubiprofen [WHO-DD]
Common Name English
CS-670
Code English
pelubiprofen [INN]
Common Name English
RS-2131
Code English
PELUBIPROFEN [JAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
Code System Code Type Description
INN
7536
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID2048795
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
PRIMARY
ChEMBL
CHEMBL69308
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
PRIMARY
PUBCHEM
5282203
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
PRIMARY
SMS_ID
100000082494
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
PRIMARY
FDA UNII
1619C79FVJ
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
PRIMARY
MESH
C040375
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
PRIMARY
DRUG BANK
DB12150
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
PRIMARY
CAS
69956-77-0
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
PRIMARY
EVMPD
SUB09652MIG
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
PRIMARY
NCI_THESAURUS
C66333
Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023
PRIMARY