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

Details

Stereochemistry RACEMIC
Molecular Formula C20H23NO4.ClH
Molecular Weight 377.862
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)PIPERIDINE HYDROCHLORIDE, TRANS-(±)-

SMILES

Cl.COC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2COC3=CC=C4OCOC4=C3

InChI

InChIKey=WGRXGIJCIOCNHB-NKGQWRHHSA-N
InChI=1S/C20H23NO4.ClH/c1-22-16-4-2-14(3-5-16)18-8-9-21-11-15(18)12-23-17-6-7-19-20(10-17)25-13-24-19;/h2-7,10,15,18,21H,8-9,11-13H2,1H3;1H/t15-,18-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PAROXETINE HYDROCHLORIDE RELATED COMPOUND A [USP-RS]
Preferred Name English
3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)PIPERIDINE HYDROCHLORIDE, TRANS-(±)-
Systematic Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)-, HYDROCHLORIDE, TRANS-(±)-
Systematic Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)-, HYDROCHLORIDE (1:1), (3R,4S)-REL-
Systematic Name English
Code System Code Type Description
CAS
127017-74-7
Created by admin on Wed Apr 02 12:24:49 GMT 2025 , Edited by admin on Wed Apr 02 12:24:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID10747434
Created by admin on Wed Apr 02 12:24:49 GMT 2025 , Edited by admin on Wed Apr 02 12:24:49 GMT 2025
PRIMARY
FDA UNII
ETK9IKM6NH
Created by admin on Wed Apr 02 12:24:49 GMT 2025 , Edited by admin on Wed Apr 02 12:24:49 GMT 2025
PRIMARY