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Details

Stereochemistry ACHIRAL
Molecular Formula C15H23ClN2O3.ClH
Molecular Weight 351.269
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-bis(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate dihydrochloride

SMILES

Cl.CN(C)CC(CN(C)C)OC(=O)COC1=CC=C(Cl)C=C1

InChI

InChIKey=VLLATZWEEPNWGU-UHFFFAOYSA-N
InChI=1S/C15H23ClN2O3.ClH/c1-17(2)9-14(10-18(3)4)21-15(19)11-20-13-7-5-12(16)6-8-13;/h5-8,14H,9-11H2,1-4H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,3-bis(dimethylamino)propan-2-yl 2-(4-chlorophenoxy)acetate dihydrochloride
Systematic Name English
BCE-001
Preferred Name English
BCE001
Code English
Acetic acid, 2-(4-chlorophenoxy)-, 2-(dimethylamino)-1-[(dimethylamino)methyl]ethyl ester, hydrochloride (1:2)
Common Name English
Acetic acid, (4-chlorophenoxy)-, 2-(dimethylamino)-1-[(dimethylamino)methyl]ethyl ester, dihydrochloride
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60914871
Created by admin on Wed Apr 02 17:32:23 GMT 2025 , Edited by admin on Wed Apr 02 17:32:23 GMT 2025
PRIMARY
CAS
95678-81-2
Created by admin on Wed Apr 02 17:32:23 GMT 2025 , Edited by admin on Wed Apr 02 17:32:23 GMT 2025
PRIMARY
FDA UNII
WJU48F6DTC
Created by admin on Wed Apr 02 17:32:23 GMT 2025 , Edited by admin on Wed Apr 02 17:32:23 GMT 2025
PRIMARY
NIH
NCATS
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