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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C19H20FNO3.2ClH.H2O
Molecular Weight 749.668
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAROXETINE HYDROCHLORIDE

SMILES

O.Cl.Cl.FC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2COC3=CC=C4OCOC4=C3.FC5=CC=C(C=C5)[C@@H]6CCNC[C@H]6COC7=CC=C8OCOC8=C7

InChI

InChIKey=MQZOATSIFWSKKT-OASXIEIISA-N
InChI=1S/2C19H20FNO3.2ClH.H2O/c2*20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;;;/h2*1-6,9,14,17,21H,7-8,10-12H2;2*1H;1H2/t2*14-,17-;;;/m00.../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 H2O
Molecular Weight 18.0153
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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:40:44 UTC 2023
Edited
by admin
on Fri Dec 15 15:40:44 UTC 2023
Record UNII
X2ELS050D8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAROXETINE HYDROCHLORIDE HEMIHYDRATE
Preferred Name English
PAROXETINE HYDROCHLORIDE
ORANGE BOOK   USP   USP-RS   VANDF  
EP   USP  
Official Name English
PAROXETINE HYDROCHLORIDE [USP-RS]
Common Name English
PAROXETINE HYDROCHLORIDE [ORANGE BOOK]
Common Name English
PAROXETINE HYDROCHLORIDE HEMIHYDRATE [USP MONOGRAPH]
Common Name English
PAROXETINE HYDROCHLORIDE HEMIHYDRATE [EP MONOGRAPH]
Common Name English
SEROXAT
Brand Name English
PAROXETINE HYDROCHLORIDE HEMIHYDRATE [MI]
Common Name English
BRL29060A
Code English
DEROXAT
Brand Name English
AROPAX
Brand Name English
PAXIL
Brand Name English
Paroxetine hydrochloride hemihydrate [WHO-DD]
Common Name English
PAXIL CR
Brand Name English
PAROXETINE HYDROCHLORIDE HYDRATE [JAN]
Common Name English
PAROXETINE HYDROCHLORIDE HYDRATE
JAN  
Common Name English
PAROXETINE HYDROCHLORIDE [VANDF]
Common Name English
(-)-(3S,4R)-4-(P-FLUOROPHENYL)-3-((3,4-METHYLENEDIOXY)PHENOXY)-METHYL)PIPERIDINE HYDROCHLORIDE HEMIHYDRATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C265
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
NCI_THESAURUS C94725
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
Code System Code Type Description
PUBCHEM
5282487
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
DAILYMED
X2ELS050D8
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
MERCK INDEX
m8418
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY Merck Index
EVMPD
SUB03655MIG
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
CAS
110429-35-1
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
FDA UNII
X2ELS050D8
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
RS_ITEM_NUM
1500218
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
RXCUI
235830
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
ALTERNATIVE RxNorm
DRUG BANK
DBSALT000132
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
RXCUI
1298842
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
EVMPD
SUB21637
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
ChEMBL
CHEMBL490
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
SMS_ID
100000091610
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
CHEBI
7944
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID101017095
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
NCI_THESAURUS
C82238
Created by admin on Fri Dec 15 15:40:44 UTC 2023 , Edited by admin on Fri Dec 15 15:40:44 UTC 2023
PRIMARY
Related Record Type Details
Structure of PAROXETINE
PARENT -> SALT/SOLVATE
Structure of PAROXETINE HYDROCHLORIDE ANHYDROUS
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of PAROXETINE, CIS-(-)-
IMPURITY -> PARENT
Structure of N-PHENOXYCARBONYLPAROXETINE
IMPURITY -> PARENT
Structure of PAROXETINE, CIS-(±)-
IMPURITY -> PARENT
Structure of 3,4-METHYLENEDIOXYPHENOL
IMPURITY -> PARENT
Structure of N-METHYLPAROXETINE
IMPURITY -> PARENT
Structure of N-BENZYLDEFLUOROPAROXETINE
IMPURITY -> PARENT
Structure of PAROXETINE, (+)-
IMPURITY -> PARENT
Structure of 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4''-FLUOROPHENYL-4'-PHENYL)PIPERIDINE, TRANS-(-)-
IMPURITY -> PARENT
Structure of 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4''-FLUOROPHENYL-4'-PHENYL)PIPERIDINE, TRANS-(+)-
IMPURITY -> PARENT
Structure of 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4''-FLUOROPHENYL-4'-PHENYL)PIPERIDINE, TRANS-(±)-
IMPURITY -> PARENT
Structure of 4-(4-FLUOROPHENYL)-1-METHYL-1,2,3,6-TETRAHYDROPYRIDINE
IMPURITY -> PARENT
Structure of ETHOXYPAROXETINE
IMPURITY -> PARENT
Structure of DESFLUOROPAROXETINE
IMPURITY -> PARENT
Structure of 3,3'-(METHYLENEBIS(1,3-BENZODIOXOLE-6,5-DIYLOXYMETHYLENE))BIS((3S,4R)-4-(4-FLUOROPHENYL)PIPERIDINE)
IMPURITY -> PARENT
Structure of (3S,4R)-4-(4-FLUOROPHENYL)-3-PIPERIDINEMETHANOL
IMPURITY -> PARENT
Structure of (3S,4R)-3-(((1,3-BENZODIOXOL-5-YL)OXY)METHYL)-3-(4'-FLUORO(1,1'-BIPHENYL)-3-YL)PIPERIDINE
IMPURITY -> PARENT
Structure of ((3S,4R)-1-BENZYL-4-(4-FLUOROPHENYL)PIPERIDIN-3-YL)METHANOL
IMPURITY -> PARENT
Structure of N-BENZYLPAROXETINE
IMPURITY -> PARENT
Related Record Type Details
Structure of PAROXETINE
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