Basic information
- CAS
3599-28-8- Standard SMILES
Nc1nc(N)nc(Nc2ccc([As](=O)(O)O)cc2)n1- InChIKey
VURSAWSSSICZRY-UHFFFAOYSA-N- Molecular formula
- C9H11AsN6O3
- Average molar mass
- 326.14 g/mol
- Monoisotopic mass
- 326.010858
Overview
product of the decomposition in aqueous solution of melarsamine HCl; RN given refers to di-Na salt; structure
Names & identifiers
- Preferred name
- Melarsen
- IUPAC
- [4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
- English name
- [4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
- Molecular formula
- C9H11AsN6O3
- Molecular weight
- 326.14
Names & synonyms
MelarsenFSE56BH8XTNSC-10894DTXSID20189548RefChem:156309DTXCID80112039N-(4,6-diamino-s-triazin-2-yl)arsanilic acid disodium salt227-365-03599-28-8Sodium melarsenV4UGD2K0MU5806-89-3
Show more names
N-(4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)ARSANILIC ACIDArsonic acid, [4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]- (9CI)
[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl}arsonic acidNSC10894(4-((4,6-Diamino-1,3,5-triazin-2-yl)amino)phenyl)arsonic acidVURSAWSSSICZRY-UHFFFAOYSA-NEINECS 227-365-0NSC 10894UNII-FSE56BH8XT
Database identifiers
- CAS
3599-28-8、5806-89-3- PubChem CID
- 79871
- DTXSID
DTXSID40206786- UNII
- FSE56BH8XT
- EC Number
- 222-749-4、227-365-0
- Nikkaji
- J218.067G
Properties
Computed structural properties
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO, Water
- form
- Solid
- color
- Off-White
- REACH Annex XVII Substances List
- 4 · [4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid (5806-89-3)
- FDA UNII
- 56 BH8XT · FSE56BH8XT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Restricted substance: [4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
Restricted substance: Disodium [4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonate
Chemistry & industry
Applications
Uses[4-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic Acid is an intermediate in the synthesis of Melarsoprol (M215100), a drug used for the treatment of Arican trypanosomes, a sleeping sickness in humans, a disease that is typically fatal without chemotherapy.
Suppliers5 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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