The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

citalopram hydrobromide
Synonyms

Celexa

1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile monohydrobromide

1-(3-(dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile monohydrobromide

1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide

3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium bromide

C20H21FN2O.HBr

1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrobromide

ID

http://purl.obolibrary.org/obo/CHEBI_3724

Definition

A hydrobromide that has formula C20H21FN2O.HBr.

has role

http://purl.obolibrary.org/obo/CHEBI_35469

InChI

InChI=1S/C20H21FN2O.BrH/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;/h4-9,12H,3,10-11,14H2,1-2H3;1H

InChIKey

InChIKey=WIHMBLDNRMIGDW-UHFFFAOYSA-N

label

citalopram hydrobromide

prefixIRI

obo2:CHEBI_3724

prefLabel

citalopram hydrobromide

SMILES

[Br-].[H][N+](C)(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1

Synonym

Celexa

1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile monohydrobromide

1-(3-(dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile monohydrobromide

1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide

3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium bromide

C20H21FN2O.HBr

1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrobromide

xref

CASRN:59729-32-7

KEGG DRUG:D00822

Beilstein:5368282

ChEMBL:774732

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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