The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

(S)-citalopram

Synonyms

C20H21FN2O

escitalopram

(S)-citalopram

S(+)-citalopram

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

S-(+)-citalopram

ID

http://purl.obolibrary.org/obo/CHEBI_36791

AHFScode

28:16.04.20

ATCCode

N06AB10

blocks

http://purl.obolibrary.org/obo/dinto_3182

http://purl.obolibrary.org/obo/dinto_1071

http://purl.obolibrary.org/obo/dinto_0234

CASRN

128196-01-0

DBBrand

lexapro

cipralex

DBname

escitalopram

DBSynonym

escitalopram oxalate

Definition

A citalopram that has S-configuration at the chiral centre. It is the active enantiomer of citalopram.

has pharmacological target

http://purl.obolibrary.org/obo/dinto_2714

has role

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

InChI

InChI=1S/C20H21FN2O/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/t20-/m0/s1

InChIKey

InChIKey=WSEQXVZVJXJVFP-FQEVSTJZSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_2714

http://purl.obolibrary.org/obo/dinto_3343

http://purl.obolibrary.org/obo/dinto_2993

http://purl.obolibrary.org/obo/dinto_0068

is metabolised by

http://purl.obolibrary.org/obo/dinto_2993

http://purl.obolibrary.org/obo/dinto_0291

http://purl.obolibrary.org/obo/dinto_0901

label

(S)-citalopram

may interact with

http://purl.obolibrary.org/obo/CHEBI_8212

http://purl.obolibrary.org/obo/CHEBI_32250

http://purl.obolibrary.org/obo/CHEBI_9943

http://purl.obolibrary.org/obo/CHEBI_32221

http://purl.obolibrary.org/obo/CHEBI_8499

http://purl.obolibrary.org/obo/CHEBI_520985

http://purl.obolibrary.org/obo/CHEBI_156095

http://purl.obolibrary.org/obo/dinto_DB00726

http://purl.obolibrary.org/obo/CHEBI_68595

http://purl.obolibrary.org/obo/dinto_DB01323

http://purl.obolibrary.org/obo/CHEBI_51364

http://purl.obolibrary.org/obo/CHEBI_7852

http://purl.obolibrary.org/obo/CHEBI_48273

http://purl.obolibrary.org/obo/CHEBI_10650

http://purl.obolibrary.org/obo/CHEBI_7478

http://purl.obolibrary.org/obo/CHEBI_3441

http://purl.obolibrary.org/obo/dinto_DB00780

http://purl.obolibrary.org/obo/CHEBI_72014

http://purl.obolibrary.org/obo/CHEBI_9654

http://purl.obolibrary.org/obo/dinto_DB00582

http://purl.obolibrary.org/obo/dinto_DB00427

http://purl.obolibrary.org/obo/CHEBI_10119

http://purl.obolibrary.org/obo/CHEBI_6904

http://purl.obolibrary.org/obo/CHEBI_50861

http://purl.obolibrary.org/obo/dinto_DB01247

http://purl.obolibrary.org/obo/dinto_DB00752

http://purl.obolibrary.org/obo/CHEBI_63607

http://purl.obolibrary.org/obo/CHEBI_9588

http://purl.obolibrary.org/obo/dinto_DB01105

http://purl.obolibrary.org/obo/CHEBI_63620

http://purl.obolibrary.org/obo/dinto_DB01037

http://purl.obolibrary.org/obo/CHEBI_6128

http://purl.obolibrary.org/obo/CHEBI_10124

http://purl.obolibrary.org/obo/CHEBI_50922

http://purl.obolibrary.org/obo/dinto_DB01381

http://purl.obolibrary.org/obo/CHEBI_195280

http://purl.obolibrary.org/obo/dinto_DB00998

http://purl.obolibrary.org/obo/dinto_DB00976

http://purl.obolibrary.org/obo/dinto_DB06700

prefixIRI

obo2:CHEBI_36791

prefLabel

(S)-citalopram

SMILES

CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1

CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1

Synonym

C20H21FN2O

escitalopram

(S)-citalopram

S(+)-citalopram

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

S-(+)-citalopram

xref

PubChem Compound:146570

ChEBI:36791

CASRN:128196-01-0

Beilstein:9001444

Wikipedia:Escitalopram

Drugs Product Database (DPD):2263238

PDRhealth:http://www.pdrhealth.com/drug_info/rxdrugprofiles/drugs/lex1642.shtml

PharmGKB:PA10074

Wikipedia:http://en.wikipedia.org/wiki/Escitalopram

National Drug Code Directory:0456-2005-01

Drugs.com:http://www.drugs.com/cdi/escitalopram.html

PubChem Substance:46507040

ChEMBL:521007

ChemSpider:129277

DrugBank:DB01175

RxList:http://www.rxlist.com/cgi/generic/lexapro.htm

subClassOf

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

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