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Details

Stereochemistry RACEMIC
Molecular Formula C24H24ClNO3.ClH
Molecular Weight 446.366
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENICLOBRATE HYDROCHLORIDE

SMILES

Cl.CCC(C)(OC1=CC=C(CC2=CC=C(Cl)C=C2)C=C1)C(=O)OCC3=CC=CN=C3

InChI

InChIKey=VBVISAJRRRZAKV-UHFFFAOYSA-N
InChI=1S/C24H24ClNO3.ClH/c1-3-24(2,23(27)28-17-20-5-4-14-26-16-20)29-22-12-8-19(9-13-22)15-18-6-10-21(25)11-7-18;/h4-14,16H,3,15,17H2,1-2H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ENICLOBRATE HYDROCHLORIDE
Common Name English
BUTANOIC ACID, 2-(4-((4-CHLOROPHENYL)METHYL)PHENOXY)-2-METHYL-, 3-PYRIDINYLMETHYL ESTER, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80972554
Created by admin on Sat Dec 16 11:02:47 UTC 2023 , Edited by admin on Sat Dec 16 11:02:47 UTC 2023
PRIMARY
CAS
57081-66-0
Created by admin on Sat Dec 16 11:02:47 UTC 2023 , Edited by admin on Sat Dec 16 11:02:47 UTC 2023
PRIMARY
FDA UNII
1E17BZY00V
Created by admin on Sat Dec 16 11:02:47 UTC 2023 , Edited by admin on Sat Dec 16 11:02:47 UTC 2023
PRIMARY
PUBCHEM
43386
Created by admin on Sat Dec 16 11:02:47 UTC 2023 , Edited by admin on Sat Dec 16 11:02:47 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of ENICLOBRATE
NIH
NCATS
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