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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO3
Molecular Weight 311.3749
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESFLUOROPAROXETINE

SMILES

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

InChI

InChIKey=VUYNWBMXOQBJAI-RDJZCZTQSA-N
InChI=1S/C19H21NO3/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/t15-,17-/m0/s1

HIDE SMILES / InChI

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 18:54:21 GMT 2023
Edited
by admin
on Sat Dec 16 18:54:21 GMT 2023
Record UNII
AT4YDK3T53
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESFLUOROPAROXETINE
Common Name English
PAROXETINE HYDROCHLORIDE RELATED COMPOUND B [USP IMPURITY]
Common Name English
(3S,4R)-3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-PHENYLPIPERIDINE
Systematic Name English
PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-PHENYL-, (3S,4R)-
Systematic Name English
(3S,4R)-3-(((1,3-BENZODIOXOL-5-YL)OXY)METHYL)-4-PHENYLPIPERIDINE
Systematic Name English
Code System Code Type Description
CAS
324024-00-2
Created by admin on Sat Dec 16 18:54:21 GMT 2023 , Edited by admin on Sat Dec 16 18:54:21 GMT 2023
PRIMARY
PUBCHEM
3038120
Created by admin on Sat Dec 16 18:54:21 GMT 2023 , Edited by admin on Sat Dec 16 18:54:21 GMT 2023
PRIMARY
FDA UNII
AT4YDK3T53
Created by admin on Sat Dec 16 18:54:21 GMT 2023 , Edited by admin on Sat Dec 16 18:54:21 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY