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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 of MONO-N-DEMETHYLFERROQUINE

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 GMT 2023
Edited
by admin
on Sat Dec 16 15:26:04 GMT 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 GMT 2023 , Edited by admin on Sat Dec 16 15:26:04 GMT 2023
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CAS
903546-18-9
Created by admin on Sat Dec 16 15:26:04 GMT 2023 , Edited by admin on Sat Dec 16 15:26:04 GMT 2023
PRIMARY
PUBCHEM
146048063
Created by admin on Sat Dec 16 15:26:04 GMT 2023 , Edited by admin on Sat Dec 16 15:26:04 GMT 2023
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