ESCITALOPRAM

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21FN2O
Molecular Weight	324.3919
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESCITALOPRAM

Structure Search

SMILES

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

InChI

InChIKey=WSEQXVZVJXJVFP-FQEVSTJZSA-N

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

HIDE SMILES / InChI

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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:37:22 UTC 2023` Edited by `admin` on `Fri Dec 15 15:37:22 UTC 2023`
Record UNII	4O4S742ANY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESCITALOPRAM

Official Name

English

ESCITALOPRAM [VANDF]

Common Name

English

CIPRALEX

Brand Name

English

(+)-(S)-1-(3-(DIMETHYLAMINO)PROPYL)-1-(P-FLUOROPHENYL)-5-PHTHALANCARBONITRILE

Common Name

English

ESCITALOPRAM [EP MONOGRAPH]

Common Name

English

S-(+)-5-ISOBENZOFURANCARBONITRILE, 1-(3-(DIMETHYLAMINO)PROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-

Common Name

English

ESITOL

Brand Name

English

S-(+)-1-(3-(DIMETHYLAMINO)PROPYL)-1-(P-FLUOROPHENYL)-5-PHTHALANCARBONITRILE

Common Name

English

ESCITALOPRAM [MI]

Common Name

English

escitalopram [INN]

Common Name

English

Escitalopram [WHO-DD]

Common Name

English

LU-26-054

Code

English

ESERTIA

Brand Name

English

Classification Tree Code System Code

NCI_THESAURUS

C265

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

WHO-ATC

N06AB10

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

LIVERTOX

368

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

NCI_THESAURUS

C94725

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

NDF-RT

N0000175696

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

NDF-RT

N0000000109

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

WHO-VATC

QN06AB10

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

Code System Code Type Description

DAILYMED

4O4S742ANY

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

DRUG CENTRAL

1053

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

ChEMBL

CHEMBL1508

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

SMS_ID

100000078580

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

CHEBI

36791

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

LACTMED

Escitalopram

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

DRUG BANK

DB01175

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

EVMPD

SUB44650

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

WIKIPEDIA

ESCITALOPRAM

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

RXCUI

321988

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

RxNorm

FDA UNII

4O4S742ANY

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

EVMPD

SUB16425MIG

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

INN

7953

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

NCI_THESAURUS

C61754

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

PUBCHEM

146570

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

IUPHAR

7177

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

CAS

128196-01-0

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

EPA CompTox

DTXSID8048440

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

MERCK INDEX

m3587

Created by admin on Fri Dec 15 15:37:22 UTC 2023 , Edited by admin on Fri Dec 15 15:37:22 UTC 2023

PRIMARY

Merck Index

Related Record Type Details


					CJZ26L1EGI

SODIUM-DEPENDENT SEROTONIN TRANSPORTER

TARGET -> INHIBITOR


					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> SUBSTRATE


					0DHU5B8D6V

RACEMATE -> ENANTIOMER

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					5U85DBW7LO

ESCITALOPRAM OXALATE

SALT/SOLVATE -> PARENT

Amount:


					SS9JTY593K

ESCITALOPRAM HYDROBROMIDE

SALT/SOLVATE -> PARENT

Amount:


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details


					JM43W5556T

DIDESMETHYLESCITALOPRAM

METABOLITE INACTIVE -> PARENT

Comments:

The principal metabolite of escitalopram is Sdemethylcitalopram (S-DCT), which may be further metabolized to S-didemethylcitalopram (S-DDCT) in small quantities.

Amount:


					68457TFE9P

DESMETHYLESCITALOPRAM

METABOLITE INACTIVE -> PARENT

Comments:

The principal metabolite of escitalopram is Sdemethylcitalopram (S-DCT), which may be further metabolized to S-didemethylcitalopram (S-DDCT) in small quantities.

Interaction Type:

MAJOR

Amount:

Related Record Type Details


					4O4S742ANY

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC				ESCITALOPRAM OXALATE (ELDERLY) PHARMACOKINETIC CITALOPRAM, REDUCED HEPATIC FUNCITON PHARMACOKINETIC

BIOAVAILABILITY	PHARMACOKINETIC

Tmax	PHARMACOKINETIC

MAXIMUM TOLERATED DOSE	TOXICITY