DESMETHYLESCITALOPRAM

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H19FN2O
Molecular Weight	310.3654
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DESMETHYLESCITALOPRAM

Structure Search

SMILES

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

InChI

InChIKey=PTJADDMMFYXMMG-IBGZPJMESA-N

InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H19FN2O
Molecular Weight	310.3654
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:17:00 UTC 2023` Edited by `admin` on `Fri Dec 15 17:17:00 UTC 2023`
Record UNII	68457TFE9P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESMETHYLESCITALOPRAM

Common Name

English

(S)-(+)-N-DEMETHYLCITALOPRAM

Common Name

English

(S)-1-(3-METHYLAMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBONITRILE

Systematic Name

English

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

Systematic Name

English

DESMETHYLCITALOPRAM, (S)-

Common Name

English

S-DESMETHYLCITALOPRAM

Common Name

English

Code System Code Type Description

CAS

144025-14-9

Created by admin on Fri Dec 15 17:17:01 UTC 2023 , Edited by admin on Fri Dec 15 17:17:01 UTC 2023

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FDA UNII

68457TFE9P

Created by admin on Fri Dec 15 17:17:01 UTC 2023 , Edited by admin on Fri Dec 15 17:17:01 UTC 2023

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WIKIPEDIA

Desmethylescitalopram

Created by admin on Fri Dec 15 17:17:01 UTC 2023 , Edited by admin on Fri Dec 15 17:17:01 UTC 2023

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PUBCHEM

11255350

Created by admin on Fri Dec 15 17:17:01 UTC 2023 , Edited by admin on Fri Dec 15 17:17:01 UTC 2023

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EPA CompTox

DTXSID001335276

Created by admin on Fri Dec 15 17:17:01 UTC 2023 , Edited by admin on Fri Dec 15 17:17:01 UTC 2023

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Related Record Type Details


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PARENT -> METABOLITE INACTIVE

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: