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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21FN2O.C2H2O4
Molecular Weight 414.4268
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESCITALOPRAM OXALATE

SMILES

OC(=O)C(O)=O.CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C3=CC=C(F)C=C3

InChI

InChIKey=KTGRHKOEFSJQNS-BDQAORGHSA-N
InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1

HIDE SMILES / InChI
Molecular Formula C2H2O4
Molecular Weight 90.0349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C20H21FN2O
Molecular Weight 324.3919
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:52:32 UTC 2023
Edited
by admin
on Fri Dec 15 15:52:32 UTC 2023
Record UNII
5U85DBW7LO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESCITALOPRAM OXALATE
JAN   MART.   MI   ORANGE BOOK   USAN   USP-RS   VANDF   WHO-DD  
USAN  
Official Name English
ESCITALOPRAM OXALATE [USAN]
Common Name English
LU-26-054-O
Code English
S-(+)-1-(3-(DIMETHYLAMINO)PROPYL)-1-(P-FLUOROPHENYL)-5-PHTHALANCARBONITRILE OXALATE
Common Name English
LEXAPRO
Brand Name English
LU-26-054-0
Code English
ESCITALOPRAM (AS OXALATE)
Common Name English
ESCITALOPRAM OXALATE [EP MONOGRAPH]
Common Name English
ESCITALOPRAM OXALATE [MART.]
Common Name English
ESCITALOPRAM OXALATE [VANDF]
Common Name English
ESCITALOPRAM OXALATE [MI]
Common Name English
LU 26-054-0
Code English
ESCITALOPRAM OXALATE [USP-RS]
Common Name English
CITALOPRAM OXALATE, (S)-
Common Name English
ESCITALOPRAM OXALATE [USP MONOGRAPH]
Common Name English
ESCITALOPRAM OXALATE [JAN]
Common Name English
Escitalopram oxalate [WHO-DD]
Common Name English
ESCITALOPRAM OXALATE [ORANGE BOOK]
Common Name English
NSC-758934
Code English
S-(+)-5-ISOBENZOFURANCARBONITRILE, 1-(3-(DIMETHYLAMINO)PROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-, OXALATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C265
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
NCI_THESAURUS C94725
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
Code System Code Type Description
DRUG BANK
DBSALT002455
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
DAILYMED
5U85DBW7LO
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
RXCUI
353108
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY RxNorm
NSC
758934
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
USAN
MM-73
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
FDA UNII
5U85DBW7LO
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
CAS
219861-08-2
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
ChEMBL
CHEMBL1508
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
SMS_ID
100000090506
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
NCI_THESAURUS
C47518
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
EVMPD
SUB16426MIG
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID1046003
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
PUBCHEM
146571
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
RS_ITEM_NUM
1249406
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY
MERCK INDEX
m3587
Created by admin on Fri Dec 15 15:52:32 UTC 2023 , Edited by admin on Fri Dec 15 15:52:32 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of ESCITALOPRAM
PARENT -> SALT/SOLVATE
Structure of ESCITALOPRAM OXALATE
BASIS OF STRENGTH->SUBSTANCE
ASSAY (HPLC)
USP
Structure of OXALIC ACID
PARENT -> SALT/SOLVATE
Structure of CITALOPRAM OXALATE
RACEMATE -> ENANTIOMER
Related Record Type Details
Structure of 1-(3-DIMETHYLAMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBOXAMIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of CITALOPRAM NITRILE OXIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of 5-DIMETHYLAMINOBUTYRYL CITALOPRAM
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of 3-HYDROXY CITALOPRAM
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of DESMETHYLCITALOPRAM
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of 3-OXOCITALOPRAM
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of ESCITALOPRAM
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