MONO-N-DEMETHYLFERROQUINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H17ClN3.C5H5.Fe
Molecular Weight	419.728
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Fe++].[CH-]1C=CC=C1.CNCC2=C[CH-]C=C2CNC3=CC=NC4=CC(Cl)=CC=C34

InChI

InChIKey=AKDMMOAFGKYNKP-UHFFFAOYSA-N

InChI=1S/C17H17ClN3.C5H5.Fe/c1-19-10-12-3-2-4-13(12)11-21-16-7-8-20-17-9-14(18)5-6-15(16)17;1-2-4-5-3-1;/h2-9,19H,10-11H2,1H3,(H,20,21);1-5H;/q2*-1;+2

HIDE SMILES / InChI

Molecular Formula	Fe
Molecular Weight	55.845
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C5H5
Molecular Weight	65.0932
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C17H17ClN3
Molecular Weight	298.79
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:26:04 UTC 2023` Edited by `admin` on `Sat Dec 16 15:26:04 UTC 2023`
Record UNII	SK3X1P41RY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MONO-N-DEMETHYLFERROQUINE

Common Name

English

1-(((7-CHLORO-4-QUINOLINYL)AMINO)METHYL)-2-((METHYLAMINO)METHYL)FERROCENE

Systematic Name

English

FERROCENE, 1-(((7-CHLORO-4-QUINOLINYL)AMINO)METHYL)-2-((METHYLAMINO)METHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

SK3X1P41RY

Created by admin on Sat Dec 16 15:26:04 UTC 2023 , Edited by admin on Sat Dec 16 15:26:04 UTC 2023

PRIMARY

CAS

903546-18-9

Created by admin on Sat Dec 16 15:26:04 UTC 2023 , Edited by admin on Sat Dec 16 15:26:04 UTC 2023

PRIMARY

PUBCHEM

146048063

Created by admin on Sat Dec 16 15:26:04 UTC 2023 , Edited by admin on Sat Dec 16 15:26:04 UTC 2023

PRIMARY

Related Record Type Details


					8D81JS19ET

FERROQUINE

PARENT -> METABOLITE

Comments:

IN VITRO

Amount: