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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO3.ClH
Molecular Weight 347.836
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESFLUOROPAROXETINE HYDROCHLORIDE

SMILES

Cl.C(OC1=CC=C2OCOC2=C1)[C@@H]3CNCC[C@H]3C4=CC=CC=C4

InChI

InChIKey=XLYKTAGGMBYJOB-NBLXOJGSSA-N
InChI=1S/C19H21NO3.ClH/c1-2-4-14(5-3-1)17-8-9-20-11-15(17)12-21-16-6-7-18-19(10-16)23-13-22-18;/h1-7,10,15,17,20H,8-9,11-13H2;1H/t15-,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 C19H21NO3
Molecular Weight 311.3749
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 10:33:06 GMT 2023
Edited
by admin
on Sat Dec 16 10:33:06 GMT 2023
Record UNII
R98U3D63SJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESFLUOROPAROXETINE HYDROCHLORIDE
Common Name English
PAROXETINE IMPURITY A HCL
Common Name English
(3S,4R)-3-((BENZODIOXOL-5-YLOXY)METHYL)-4-PHENYLPIPERIDINE HYDROCHLORIDE
Systematic Name English
3-((BENZODIOXOL-5-YLOXY)METHYL)-4-PHENYLPIPERIDINE HYDROCHLORIDE, (3S,4R)-
Systematic Name English
3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-PHENYL-, HYDROCHLORIDE (1:1), (3S,4R)-
Systematic Name English
PAROXETINE HYDROCHLORIDE RELATED COMPOUND B [USP-RS]
Common Name English
Code System Code Type Description
PUBCHEM
90472067
Created by admin on Sat Dec 16 10:33:06 GMT 2023 , Edited by admin on Sat Dec 16 10:33:06 GMT 2023
PRIMARY
CAS
1394842-91-1
Created by admin on Sat Dec 16 10:33:06 GMT 2023 , Edited by admin on Sat Dec 16 10:33:06 GMT 2023
PRIMARY
FDA UNII
R98U3D63SJ
Created by admin on Sat Dec 16 10:33:06 GMT 2023 , Edited by admin on Sat Dec 16 10:33:06 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE