Basic information
- CAS
91-71-4- Standard SMILES
NC(=O)Nc1ccc([As](Sc2ccccc2C(=O)O)Sc2ccccc2C(=O)O)cc1- InChIKey
HVHVTGIAAGQNOB-UHFFFAOYSA-N- Molecular formula
- C21H17AsN2O5S2
- Average molar mass
- 516.4 g/mol
- Monoisotopic mass
- 515.979484
Names & identifiers
- Preferred name
- Thiocarbamizine
- IUPAC
- 2-[[4-(carbamoylamino)phenyl]-(2-carboxyphenyl)sulfanylarsanyl]sulfanylbenzoic acid
- English name
- Thio-Carbamisin
- Molecular formula
- C21H17AsN2O5S2
- Molecular weight
- 516.42
Names & synonyms
ThiocarbamizineThiocarbamisinChemotherapy Center No. 1037(p-Ureidophenylarsylenedithio)di-o-benzoic acid4-Carbamidophenyl bis(o-carboxyphenylthio)arseniteo-Mercaptobenzoic acid, diester with dithio-p-ureidobenzenearsonous acid(p-Ureidophenylarsylenedithio)di-o-benioic acidNSC 523316(p-Ureidobenzenearsylenedithio)di-o-benzoic acidUNII-J1180JH294p-Carbamidophenyl-bis(2-carboxyphenylmercapto)arsinep-Carbamidophenyl-di(1'-carboxyphenyl-2') thioarsenite
Show more names
C.C. No 1037Thio-CarbamisinChemotherapy Center No 10372-[[[(2-carboxyphenyl)thio]-(4-ureidophenyl)arsino]thio]benzoic acid2,2'-[[[4-[(Aminocarbonyl)amino]phenyl]arsinidene]bis(thio)]dibenzoic acid2,2'-[[[4-[(Aminocarbonyl)amino]phenyl]arsinidene]bis(thio)]bisbenzoic acid2-[[4-(carbamoylamino)phenyl]-(2-carboxyphenyl)sulfanylarsanyl]sulfanylbenzoic acidBenzoic acid, 2,2'-[[[4-[(aminocarbonyl)amino]phenyl]arsinidene]bis(thio)]bis- (9CI)2-[[4-(aminocarbonylamino)phenyl]-(2-carboxyphenyl)sulfanyl-arsanyl]sulfanylbenzoic acid
Properties
Computed structural properties
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 611
Physicochemical properties
- pka
- 2.92 · 2.92±0.36(Predicted)
- FDA UNII
- 1180 JH294 · J1180JH294
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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