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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20FNO3.C4H4O4
Molecular Weight 445.4376
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PAROXETINE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.FC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2COC3=CC4=C(OCO4)C=C3

InChI

InChIKey=AEIUZSKXSWGSRU-QXGDPHCHSA-N
InChI=1S/C19H20FNO3.C4H4O4/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;5-3(6)1-2-4(7)8/h1-6,9,14,17,21H,7-8,10-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,17-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C19H20FNO3
Molecular Weight 329.3654
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 13:54:58 UTC 2019
Edited
by admin
on Tue Oct 22 13:54:58 UTC 2019
Record UNII
F726G2563Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAROXETINE MALEATE
MI  
Common Name English
FG-7051 MALEATE
Code English
(3S,4R)-3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)-PIPERIDINE MALEATE
Systematic Name English
PAROXETINE MALEATE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
M8418
Created by admin on Tue Oct 22 13:54:58 UTC 2019 , Edited by admin on Tue Oct 22 13:54:58 UTC 2019
PRIMARY Merck Index
PUBCHEM
6435921
Created by admin on Tue Oct 22 13:54:58 UTC 2019 , Edited by admin on Tue Oct 22 13:54:58 UTC 2019
PRIMARY
EPA CompTox
64006-44-6
Created by admin on Tue Oct 22 13:54:58 UTC 2019 , Edited by admin on Tue Oct 22 13:54:58 UTC 2019
PRIMARY
CAS
64006-44-6
Created by admin on Tue Oct 22 13:54:58 UTC 2019 , Edited by admin on Tue Oct 22 13:54:58 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE