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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20FNO3.ClH
Molecular Weight 365.826
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=GELRVIPPMNMYGS-SATBOSKTSA-N
InChI=1S/C19H20FNO3.ClH/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;1H/t14-,17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 18:28:57 GMT 2023
Edited
by admin
on Sat Dec 16 18:28:57 GMT 2023
Record UNII
E8A4U5DP45
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAROXETINE HYDROCHLORIDE, (+)-
Common Name English
PAROXETINE HYDROCHLORIDE, TRANS-(+)-
Common Name English
PAROXETINE HYDROCHLORIDE RELATED COMPOUND C [USP-RS]
Common Name English
(3R,4S)-3-((BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)PIPERIDINE HYDROCHLORIDE
Systematic Name English
(+)-TRANS-PAROXETINE HYDROCHLORIDE
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1500240
Created by admin on Sat Dec 16 18:28:57 GMT 2023 , Edited by admin on Sat Dec 16 18:28:57 GMT 2023
PRIMARY
CAS
130855-30-0
Created by admin on Sat Dec 16 18:28:57 GMT 2023 , Edited by admin on Sat Dec 16 18:28:57 GMT 2023
PRIMARY
FDA UNII
E8A4U5DP45
Created by admin on Sat Dec 16 18:28:57 GMT 2023 , Edited by admin on Sat Dec 16 18:28:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID70595337
Created by admin on Sat Dec 16 18:28:57 GMT 2023 , Edited by admin on Sat Dec 16 18:28:57 GMT 2023
PRIMARY
PUBCHEM
18635524
Created by admin on Sat Dec 16 18:28:57 GMT 2023 , Edited by admin on Sat Dec 16 18:28:57 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
PARENT -> SALT/SOLVATE