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Details

Stereochemistry ACHIRAL
Molecular Formula C17H17ClN3.C5H5.Fe
Molecular Weight 419.7291
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONO-N-DEMETHYLFERROQUINE

SMILES

CNC[c-]1cccc1CNc2ccnc3cc(ccc23)Cl.c1c[cH-]cc1.[Fe+2]

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 C5H5
Molecular Weight 65.0934
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H17ClN3
Molecular Weight 298.7906
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Fe
Molecular Weight 55.8451
Charge 2
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 Jun 26 16:25:24 UTC 2021
Edited
by admin
on Sat Jun 26 16:25:24 UTC 2021
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 Jun 26 16:25:24 UTC 2021 , Edited by admin on Sat Jun 26 16:25:24 UTC 2021
PRIMARY
CAS
903546-18-9
Created by admin on Sat Jun 26 16:25:24 UTC 2021 , Edited by admin on Sat Jun 26 16:25:24 UTC 2021
PRIMARY
PUBCHEM
146048063
Created by admin on Sat Jun 26 16:25:24 UTC 2021 , Edited by admin on Sat Jun 26 16:25:24 UTC 2021
PRIMARY
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