Solasulfone
[CAS# 133-65-3]

Identification

• Classification: API >> Synthetic anti-infective drugs >> Anti-tuberculosis leprosy
• Name: Solasulfone
• Synonyms: Tetrasodium 1-Phenyl-3-[[4-[4-[(3-Phenyl-1,3-Disulfonato-Propyl)Amino]Phenyl]Sulfonylphenyl]Amino]Propane-1,3-Disulfonate; Sulphetrone; Tetrasodium Salt Of 1,1'-(Sulfonylbis(P-Phenylimino))Bis-(3-Phenyl-1,3-Propanedisulfonic Acid)
• Molecular Formula: C₃₀H₂₈N₂Na₄O₁₄S₅
• Molecular Weight: 892.82
• CAS Registry Number: 133-65-3
• EINECS: 205-116-7
• SMILES: C4=C(C(CC(NC1=CC=C(C=C1)[S](C3=CC=C(NC(CC(C2=CC=CC=C2)[S](=O)(=O)[O-])[S](=O)(=O)[O-])C=C3)(=O)=O)[S](=O)(=O)[O-])[S](=O)(=O)[O-])C=CC=C4.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C30H32N2O14S5.4Na/c33-47(34,25-15-11-23(12-16-25)31-29(50(41,42)43)19-27(48(35,36)37)21-7-3-1-4-8-21)26-17-13-24(14-18-26)32-30(51(44,45)46)20-28(49(38,39)40)22-9-5-2-6-10-22;;;;/h1-18,27-32H,19-20H2,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4
• InChIKey: WAGUNVVOQBKLDL-UHFFFAOYSA-J