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Details

Stereochemistry RACEMIC
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-RVXRQPKJSA-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-;/m0./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 18:29:31 UTC 2023
Edited
by admin
on Sat Dec 16 18:29:31 UTC 2023
Record UNII
5V22ESA4MA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAROXETINE HYDROCHLORIDE, (±)-
Common Name English
PAROXETINE HYDROCHLORIDE, TRANS-(±)-
Common Name English
TRANS-(±)-3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)PIPERIDINE HYDROCHLORIDE
Systematic Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-, HYDROCHLORIDE, TRANS-
Systematic Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-, HYDROCHLORIDE, TRANS-(±)-
Systematic Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-, HYDROCHLORIDE (1:1), (3R,4S)-REL-
Systematic Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-, HYDROCHLORIDE, (3R,4S)-REL-
Systematic Name English
Code System Code Type Description
CAS
130855-16-2
Created by admin on Sat Dec 16 18:29:32 UTC 2023 , Edited by admin on Sat Dec 16 18:29:32 UTC 2023
PRIMARY
FDA UNII
5V22ESA4MA
Created by admin on Sat Dec 16 18:29:32 UTC 2023 , Edited by admin on Sat Dec 16 18:29:32 UTC 2023
PRIMARY
PUBCHEM
62878
Created by admin on Sat Dec 16 18:29:32 UTC 2023 , Edited by admin on Sat Dec 16 18:29:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE