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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H33N3O.2ClH
Molecular Weight 416.428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SITAMAQUINE DIHYDROCHLORIDE

SMILES

Cl.Cl.CCN(CC)CCCCCCNC1=CC(OC)=CC2=C1N=CC=C2C

InChI

InChIKey=AFMFKGVIHLNIEO-UHFFFAOYSA-N
InChI=1S/C21H33N3O.2ClH/c1-5-24(6-2)14-10-8-7-9-12-22-20-16-18(25-4)15-19-17(3)11-13-23-21(19)20;;/h11,13,15-16,22H,5-10,12,14H2,1-4H3;2*1H

HIDE SMILES / InChI

Molecular Formula C21H33N3O
Molecular Weight 343.5062
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Fri Dec 15 15:33:06 UTC 2023
Edited
by admin
on Fri Dec 15 15:33:06 UTC 2023
Record UNII
ASU02O7NS8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SITAMAQUINE DIHYDROCHLORIDE
MI  
Common Name English
1,6-HEXANEDIAMINE, N1,N1-DIETHYL-N6-(6-METHOXY-4-METHYL-8-QUINOLINYL)-, HYDROCHLORIDE (1:2)
Systematic Name English
NSC-2452
Code English
SITAMAQUINE DIHYDROCHLORIDE [MI]
Common Name English
N1,N1-DIETHYL-N6-(6-METHOXY-4-METHYL-8-QUINOLINYL)-1,6-HEXANEDIAMINE DIHYDROCHLORIDE
Systematic Name English
WR-6026
Code English
WR-6026 DIHYDROCHLORIDE
Code English
Code System Code Type Description
CAS
5330-29-0
Created by admin on Fri Dec 15 15:33:06 UTC 2023 , Edited by admin on Fri Dec 15 15:33:06 UTC 2023
PRIMARY
FDA UNII
ASU02O7NS8
Created by admin on Fri Dec 15 15:33:06 UTC 2023 , Edited by admin on Fri Dec 15 15:33:06 UTC 2023
PRIMARY
PUBCHEM
73340
Created by admin on Fri Dec 15 15:33:06 UTC 2023 , Edited by admin on Fri Dec 15 15:33:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID80967884
Created by admin on Fri Dec 15 15:33:06 UTC 2023 , Edited by admin on Fri Dec 15 15:33:06 UTC 2023
PRIMARY
ECHA (EC/EINECS)
226-224-0
Created by admin on Fri Dec 15 15:33:06 UTC 2023 , Edited by admin on Fri Dec 15 15:33:06 UTC 2023
PRIMARY
MERCK INDEX
m9961
Created by admin on Fri Dec 15 15:33:06 UTC 2023 , Edited by admin on Fri Dec 15 15:33:06 UTC 2023
PRIMARY Merck Index
NSC
2452
Created by admin on Fri Dec 15 15:33:06 UTC 2023 , Edited by admin on Fri Dec 15 15:33:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE