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Details

Stereochemistry RACEMIC
Molecular Formula C20H23FN2O2
Molecular Weight 342.4072
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITADIOL

SMILES

CN(C)CCCC(O)(C1=CC=C(F)C=C1)C2=CC=C(C=C2CO)C#N

InChI

InChIKey=GNULRNVWXYXBQY-UHFFFAOYSA-N
InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24/h4-9,12,24-25H,3,10-11,14H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
CITADIOL
Common Name English
CITADIOL, (±)-
Common Name English
4-(4-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL)-1-HYDROXYBUTYL)-3-(HYDROXYMETHYL)BENZONITRILE
Systematic Name English
4-(4-DIMETHYLAMINO-1-(4'-FLUOROPHENYL)-1-HYDROXY-1-BUTYL)-3-HYDROXYMETHYL BENZONITRILE
Common Name English
4-(4-(DIMETHYLAMINO)-1-(4'-FLUOROPHENYL)-1-(HYDROXY)BUTYL)-3-(HYDROXYMETHYL)BENZONITRILE
Common Name English
BENZONITRILE, 4-(4-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL)-1-HYDROXYBUTYL)-3-(HYDROXYMETHYL)-
Systematic Name English
CITALOPRAM HYDROBROMIDE IMPURITY, 4-(4-DIMETHYLAMINO-1-(4'-FLUOROPHENYL)-1-HYDROXY-1-BUTYL)-3-HYDROXYMETHYL BENZONITRILE- [USP IMPURITY]
Common Name English
(±)-CITADIOL
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1A01760
Created by admin on Sat Dec 16 02:05:45 GMT 2023 , Edited by admin on Sat Dec 16 02:05:45 GMT 2023
PRIMARY
FDA UNII
2FZ7LD4B44
Created by admin on Sat Dec 16 02:05:45 GMT 2023 , Edited by admin on Sat Dec 16 02:05:45 GMT 2023
PRIMARY
PUBCHEM
10132164
Created by admin on Sat Dec 16 02:05:45 GMT 2023 , Edited by admin on Sat Dec 16 02:05:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID60908215
Created by admin on Sat Dec 16 02:05:45 GMT 2023 , Edited by admin on Sat Dec 16 02:05:45 GMT 2023
PRIMARY
CAS
103146-25-4
Created by admin on Sat Dec 16 02:05:45 GMT 2023 , Edited by admin on Sat Dec 16 02:05:45 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of CITADIOL
NIH
NCATS
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