Basic information
- CAS
37526-80-0- Standard SMILES
Nc1nc(N)nc(Nc2ccc([As]3SC(C(=O)O)C(C(=O)O)S3)cc2)n1- InChIKey
LDILLULDEJXERI-UHFFFAOYSA-N- Molecular formula
- C13H13AsN6O4S2
- Average molar mass
- 456.3 g/mol
- Monoisotopic mass
- 455.965565
Names & identifiers
- Preferred name
- Melarsonyl
- IUPAC
- 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid
- English name
- melarsonic acid
- Molecular formula
- C13H13AsN6O4S2
- Molecular weight
- 456.33
Names & synonyms
Melarsonyl37526-80-0TrimelarsanOOO8QR9Y40DTXSID908643901,3,2-Dithiarsolane-4,5-dicarboxylic acid, 2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-RefChem:156311DTXCID50812913Melarsonic acid2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid2-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl}-1,3,2-dithiarsolane-4,5-dicarboxylic acidMelarsonylum (acid)
Show more names
1,3,2-Dithiarsolane-4,5-dicarboxylic acid, 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-
UNII-OOO8QR9Y402-(4-(4,6-diamino-s- triazin-2-ylamino)phenyl)-1,3,2-dithiaarsolane-4,5- carboxylic acidSCHEMBL1567163HY-U00295AKOS040740843CS-7264DA-75400Q27285767
Database identifiers
- CAS
37526-80-0- PubChem CID
- 25908
- DTXSID
DTXSID90864390- UNII
- OOO8QR9Y40
Properties
Computed structural properties
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Boiling point
- 850.4 · 850.4±75.0 °C(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 2.31 · 2.31±0.40(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- FDA UNII
- 8 QR9Y40 · OOO8QR9Y40
Chemistry & industry
Applications
UsesMelarsonyl (Melarsonic acid) is an anthelmintic agent which can inhibit parasite potently.
Suppliers5 total
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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