U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H18ClN3O
Molecular Weight 327.808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESETHYLAMODIAQUINE

SMILES

CCNCC1=CC(NC2=CC=NC3=C2C=CC(Cl)=C3)=CC=C1O

InChI

InChIKey=VRXFDHAGFYWGHT-UHFFFAOYSA-N
InChI=1S/C18H18ClN3O/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17/h3-10,20,23H,2,11H2,1H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C18H18ClN3O
Molecular Weight 327.808
Charge 0
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 15:42:53 GMT 2023
Edited
by admin
on Sat Dec 16 15:42:53 GMT 2023
Record UNII
BY36SG7NP9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESETHYLAMODIAQUINE
Common Name English
4-((7-CHLORANYLQUINOLIN-4-YL)AMINO)-2-(ETHYLAMINOMETHYL)PHENOL
Systematic Name English
PHENOL, 4-((7-CHLORO-4-QUINOLINYL)AMINO)-2-((ETHYLAMINO)METHYL)-
Systematic Name English
N-DESETHYLAMODIAQUINE
Common Name English
MONODESETHYLAMODIAQUINE
Common Name English
Code System Code Type Description
PUBCHEM
122068
Created by admin on Sat Dec 16 15:42:54 GMT 2023 , Edited by admin on Sat Dec 16 15:42:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID20229630
Created by admin on Sat Dec 16 15:42:54 GMT 2023 , Edited by admin on Sat Dec 16 15:42:54 GMT 2023
PRIMARY
FDA UNII
BY36SG7NP9
Created by admin on Sat Dec 16 15:42:54 GMT 2023 , Edited by admin on Sat Dec 16 15:42:54 GMT 2023
PRIMARY
CAS
79352-78-6
Created by admin on Sat Dec 16 15:42:54 GMT 2023 , Edited by admin on Sat Dec 16 15:42:54 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET ORGANISM->INHIBITOR
EC50
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Some consider AMODIAQUINE to be a prodrug.
MAJOR