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Details

Stereochemistry RACEMIC
Molecular Formula C22H27NO4
Molecular Weight 369.4541
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISALMADOL

SMILES

CN(C)C[C@H]1CCCC[C@]1(O)C2=CC(OC(=O)C3=CC=CC=C3O)=CC=C2

InChI

InChIKey=OLXCPJRIWXIFTH-VGSWGCGISA-N
InChI=1S/C22H27NO4/c1-23(2)15-17-8-5-6-13-22(17,26)16-9-7-10-18(14-16)27-21(25)19-11-3-4-12-20(19)24/h3-4,7,9-12,14,17,24,26H,5-6,8,13,15H2,1-2H3/t17-,22+/m1/s1

HIDE SMILES / InChI
ISALMADOL is an analgesic agent.

Approval Year

Name Type Language
ISALMADOL
INN  
INN  
Official Name English
3-((1RS,2RS)-2-((DIMETHYLAMINO)METHYL)-1-HYDROXYCYCLOHEXYL)PHENYL 2-HYDROXYBENZOATE
Systematic Name English
BENZOIC ACID, 2-HYDROXY-, 3-((1R,2R)-2-((DIMETHYLAMINO)METHYL)-1-HYDROXYCYCLOHEXYL)PHENYL ESTER, REL-
Common Name English
isalmadol [INN]
Common Name English
Code System Code Type Description
FDA UNII
6N60J342OF
Created by admin on Fri Dec 15 18:37:59 GMT 2023 , Edited by admin on Fri Dec 15 18:37:59 GMT 2023
PRIMARY
INN
8411
Created by admin on Fri Dec 15 18:37:59 GMT 2023 , Edited by admin on Fri Dec 15 18:37:59 GMT 2023
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SMS_ID
300000036910
Created by admin on Fri Dec 15 18:37:59 GMT 2023 , Edited by admin on Fri Dec 15 18:37:59 GMT 2023
PRIMARY
PUBCHEM
44147561
Created by admin on Fri Dec 15 18:37:59 GMT 2023 , Edited by admin on Fri Dec 15 18:37:59 GMT 2023
PRIMARY
CAS
269079-62-1
Created by admin on Fri Dec 15 18:37:59 GMT 2023 , Edited by admin on Fri Dec 15 18:37:59 GMT 2023
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ChEMBL
CHEMBL2107755
Created by admin on Fri Dec 15 18:37:59 GMT 2023 , Edited by admin on Fri Dec 15 18:37:59 GMT 2023
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NCI_THESAURUS
C166951
Created by admin on Fri Dec 15 18:37:59 GMT 2023 , Edited by admin on Fri Dec 15 18:37:59 GMT 2023
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EPA CompTox
DTXSID50181414
Created by admin on Fri Dec 15 18:37:59 GMT 2023 , Edited by admin on Fri Dec 15 18:37:59 GMT 2023
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