ESCITALOPRAM N-OXIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21FN2O2
Molecular Weight	340.3913
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[N+](C)([O-])CCC[C@]1(OCC2=CC(=CC=C12)C#N)C3=CC=C(F)C=C3

InChI

InChIKey=DIOGFDCEWUUSBQ-FQEVSTJZSA-N

InChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H21FN2O2
Molecular Weight	340.3913
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 `Sat Dec 16 16:07:20 GMT 2023` Edited by `admin` on `Sat Dec 16 16:07:20 GMT 2023`
Record UNII	JMR4KG3QUN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESCITALOPRAM N-OXIDE

Common Name

English

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

Common Name

English

3-((1S)-5-CYANO-1-(4-FLUOROPHENYL)-3H-2-BENZOFURAN-1-YL)-N,N-DIMETHYL-PROPAN-1-AMINE OXIDE

Systematic Name

English

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

Systematic Name

English

(S)-CITALOPRAM N-OXIDE

Common Name

English

(S)-3-(5-CYANO-1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-1-YL)-N,N-DIMETHYLPROPAN-1-AMINE OXIDE

Common Name

English

Code System Code Type Description

PUBCHEM

15987231

Created by admin on Sat Dec 16 16:07:20 GMT 2023 , Edited by admin on Sat Dec 16 16:07:20 GMT 2023

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EPA CompTox

DTXSID60580934

Created by admin on Sat Dec 16 16:07:20 GMT 2023 , Edited by admin on Sat Dec 16 16:07:20 GMT 2023

PRIMARY

FDA UNII

JMR4KG3QUN

Created by admin on Sat Dec 16 16:07:20 GMT 2023 , Edited by admin on Sat Dec 16 16:07:20 GMT 2023

PRIMARY

CAS

917482-45-2

Created by admin on Sat Dec 16 16:07:20 GMT 2023 , Edited by admin on Sat Dec 16 16:07:20 GMT 2023

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