DIDESMETHYLESCITALOPRAM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H17FN2O
Molecular Weight	296.3388
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=RKUKMUWCRLRPEJ-SFHVURJKSA-N

InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H17FN2O
Molecular Weight	296.3388
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 17:32:23 GMT 2023` Edited by `admin` on `Fri Dec 15 17:32:23 GMT 2023`
Record UNII	JM43W5556T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIDESMETHYLESCITALOPRAM

Common Name

English

S-DIDESMETHYLCITALOPRAM

Common Name

English

(S)-DIDEMETHYLCITALOPRAM

Common Name

English

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

Systematic Name

English

DIDESMETHYLCITALOPRAM, (S)-

Common Name

English

N-DESMETHYLESCITALOPRAM

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

40582667

Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023

PRIMARY

CAS

166037-78-1

Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023

PRIMARY

EPA CompTox

DTXSID30168066

Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023

PRIMARY

FDA UNII

JM43W5556T

Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023

PRIMARY

Related Record Type Details


					4O4S742ANY

ESCITALOPRAM

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.

Amount: