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Details

Stereochemistry RACEMIC
Molecular Formula C22H23NO3
Molecular Weight 349.4229
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PEMEDOLAC

SMILES

CC[C@@]1(CC(O)=O)OC[C@H](CC2=CC=CC=C2)C3=C1NC4=C3C=CC=C4

InChI

InChIKey=BUUODSZYUAZDIF-AOMKIAJQSA-N
InChI=1S/C22H23NO3/c1-2-22(13-19(24)25)21-20(17-10-6-7-11-18(17)23-21)16(14-26-22)12-15-8-4-3-5-9-15/h3-11,16,23H,2,12-14H2,1H3,(H,24,25)/t16-,22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PEMEDOLAC
INN   USAN  
USAN   INN  
Official Name English
AY-30,715
Code English
AY-30715
Code English
PEMEDOLAC [USAN]
Common Name English
pemedolac [INN]
Common Name English
(±)-CIS-4-BENZYL-1-ETHYL-1,3,4,9-TETRAHYDROPYRANO(3,4-B)INDOLE-1-ACETIC ACID
Common Name English
PYRANO(3,4-B)INDOLE-1-ACETIC ACID, 1-ETHYL-1,3,4,9-TETRAHYDRO-4-(PHENYLMETHYL)-, CIS-(±)-
Common Name English
Code System Code Type Description
INN
6183
Created by admin on Fri Dec 15 19:03:19 UTC 2023 , Edited by admin on Fri Dec 15 19:03:19 UTC 2023
PRIMARY
FDA UNII
P7VK7RH5C7
Created by admin on Fri Dec 15 19:03:19 UTC 2023 , Edited by admin on Fri Dec 15 19:03:19 UTC 2023
PRIMARY
ChEMBL
CHEMBL2218910
Created by admin on Fri Dec 15 19:03:19 UTC 2023 , Edited by admin on Fri Dec 15 19:03:19 UTC 2023
PRIMARY
SMS_ID
100000082475
Created by admin on Fri Dec 15 19:03:19 UTC 2023 , Edited by admin on Fri Dec 15 19:03:19 UTC 2023
PRIMARY
EVMPD
SUB09653MIG
Created by admin on Fri Dec 15 19:03:19 UTC 2023 , Edited by admin on Fri Dec 15 19:03:19 UTC 2023
PRIMARY
NCI_THESAURUS
C174836
Created by admin on Fri Dec 15 19:03:19 UTC 2023 , Edited by admin on Fri Dec 15 19:03:19 UTC 2023
PRIMARY
CAS
114716-16-4
Created by admin on Fri Dec 15 19:03:19 UTC 2023 , Edited by admin on Fri Dec 15 19:03:19 UTC 2023
PRIMARY
PUBCHEM
6918042
Created by admin on Fri Dec 15 19:03:19 UTC 2023 , Edited by admin on Fri Dec 15 19:03:19 UTC 2023
PRIMARY
USAN
X-81
Created by admin on Fri Dec 15 19:03:19 UTC 2023 , Edited by admin on Fri Dec 15 19:03:19 UTC 2023
PRIMARY
MESH
C056040
Created by admin on Fri Dec 15 19:03:19 UTC 2023 , Edited by admin on Fri Dec 15 19:03:19 UTC 2023
PRIMARY