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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9AsN6O3.2Na
Molecular Weight 370.1073
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MELARSEN SODIUM

SMILES

[Na+].[Na+].NC1=NC(NC2=CC=C(C=C2)[As]([O-])([O-])=O)=NC(N)=N1

InChI

InChIKey=JNAIKRZHFZIVBS-UHFFFAOYSA-L
InChI=1S/C9H11AsN6O3.2Na/c11-7-14-8(12)16-9(15-7)13-6-3-1-5(2-4-6)10(17,18)19;;/h1-4H,(H2,17,18,19)(H5,11,12,13,14,15,16);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H9AsN6O3
Molecular Weight 324.1278
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 Dec 16 12:18:25 GMT 2023
Edited
by admin
on Sat Dec 16 12:18:25 GMT 2023
Record UNII
V4UGD2K0MU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MELARSEN SODIUM
Common Name English
SODIUM MELARSEN
Common Name English
ARSONIC ACID, AS-(4-((4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)AMINO)PHENYL)-, SODIUM SALT (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
197032
Created by admin on Sat Dec 16 12:18:25 GMT 2023 , Edited by admin on Sat Dec 16 12:18:25 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-749-4
Created by admin on Sat Dec 16 12:18:25 GMT 2023 , Edited by admin on Sat Dec 16 12:18:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID20189548
Created by admin on Sat Dec 16 12:18:25 GMT 2023 , Edited by admin on Sat Dec 16 12:18:25 GMT 2023
PRIMARY
FDA UNII
V4UGD2K0MU
Created by admin on Sat Dec 16 12:18:25 GMT 2023 , Edited by admin on Sat Dec 16 12:18:25 GMT 2023
PRIMARY
CAS
3599-28-8
Created by admin on Sat Dec 16 12:18:25 GMT 2023 , Edited by admin on Sat Dec 16 12:18:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE