U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H29NO3.ClH
Molecular Weight 343.889
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride

SMILES

Cl.CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=HEXBWGNCINCLCP-UHFFFAOYSA-N
InChI=1S/C18H29NO3.ClH/c1-3-5-12-19(13-6-4-2)14-7-15-22-17-10-8-16(9-11-17)18(20)21;/h8-11H,3-7,12-15H2,1-2H3,(H,20,21);1H

HIDE SMILES / InChI

Approval Year

Name Type Language
Benzoic acid, 4-[3-(dibutylamino)propoxy]-, hydrochloride
Preferred Name English
4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride
Systematic Name English
Benzoic acid, 4-[3-(dibutylamino)propoxy]-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
10269013
Created by admin on Wed Apr 02 19:11:30 GMT 2025 , Edited by admin on Wed Apr 02 19:11:30 GMT 2025
PRIMARY
CAS
437651-44-0
Created by admin on Wed Apr 02 19:11:30 GMT 2025 , Edited by admin on Wed Apr 02 19:11:30 GMT 2025
PRIMARY
FDA UNII
5JYU8TFK7N
Created by admin on Wed Apr 02 19:11:30 GMT 2025 , Edited by admin on Wed Apr 02 19:11:30 GMT 2025
PRIMARY