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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20FNO3
Molecular Weight 329.3654
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAROXETINE, (+)-

SMILES

FC1=CC=C(C=C1)[C@H]2CCNC[C@@H]2COC3=CC=C4OCOC4=C3

InChI

InChIKey=AHOUBRCZNHFOSL-RHSMWYFYSA-N
InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H20FNO3
Molecular Weight 329.3654
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:28:56 GMT 2023
Edited
by admin
on Sat Dec 16 18:28:56 GMT 2023
Record UNII
58SBH37T77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAROXETINE, (+)-
Common Name English
(+)-TRANS-PAROXETINE
Common Name English
PAROXETINE, TRANS-(+)-
Common Name English
(3R,4S)-3-((BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)PIPERIDINE
Systematic Name English
(3R,4S)-3-(((1,3-BENZODIOXOL-5-YL)OXY)METHYL)-4-(4-FLUOROPHENYL)PIPERIDINE
Systematic Name English
PAROXETINE HYDROCHLORIDE RELATED COMPOUND C [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
667572
Created by admin on Sat Dec 16 18:28:56 GMT 2023 , Edited by admin on Sat Dec 16 18:28:56 GMT 2023
PRIMARY
CAS
112058-85-2
Created by admin on Sat Dec 16 18:28:56 GMT 2023 , Edited by admin on Sat Dec 16 18:28:56 GMT 2023
PRIMARY
FDA UNII
58SBH37T77
Created by admin on Sat Dec 16 18:28:56 GMT 2023 , Edited by admin on Sat Dec 16 18:28:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID90860771
Created by admin on Sat Dec 16 18:28:56 GMT 2023 , Edited by admin on Sat Dec 16 18:28:56 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY