(5aS,6aS,7S,9Z,10aR)-9-(Amino-Hydroxymethylidene)-4,7-Bis(Dimethylamino)-1,10a,12-Trihydroxy-5a,6,6a,7-Tetrahydrobenzo[b]Thioxanthene-8,10,11-Trione
[CAS# 82925-85-7]

Identification

• Name: (5aS,6aS,7S,9Z,10aR)-9-(Amino-Hydroxymethylidene)-4,7-Bis(Dimethylamino)-1,10a,12-Trihydroxy-5a,6,6a,7-Tetrahydrobenzo[b]Thioxanthene-8,10,11-Trione
• Synonyms: (5As,6As,7S,9Z,10Ar)-9-(Amino-Hydroxy-Methylene)-4,7-Bis(Dimethylamino)-1,10A,12-Trihydroxy-5A,6,6A,7-Tetrahydrobenzo[B]Thioxanthene-8,10,11-Trione; (5As,6As,7S,9Z,10Ar)-9-(Amino-Hydroxymethylene)-4,7-Bis(Dimethylamino)-1,10A,12-Trihydroxy-5A,6,6A,7-Tetrahydrobenzo[B]Thioxanthene-8,10,11-Trione; (5As,6As,7S,9Z,10Ar)-9-(Amino-Hydroxy-Methylidene)-4,7-Bis(Dimethylamino)-1,10A,12-Trihydroxy-5A,6,6A,7-Tetrahydrobenzo[B]Thioxanthene-8,10,11-Trione
• Molecular Formula: C₂₂H₂₅N₃O₇S
• Molecular Weight: 475.52
• CAS Registry Number: 82925-85-7
• SMILES: [C@H]34[C@](O)(C(=O)C2=C(O)C1=C(O)C=CC(=C1S[C@H]2C3)N(C)C)C(=O)\C(C(=O)[C@H]4N(C)C)=C(/O)N
• InChI: 1S/C22H25N3O7S/c1-24(2)9-5-6-10(26)12-16(27)13-11(33-18(9)12)7-8-15(25(3)4)17(28)14(21(23)31)20(30)22(8,32)19(13)29/h5-6,8,11,15,26-27,31-32H,7,23H2,1-4H3/b21-14-/t8-,11-,15-,22-/m0/s1
• InChIKey: BFMLRFOUAUHWAG-CHJKXHOZSA-N

Properties

• Density: 1.627g/cm³ (Cal.)
• Boiling point: 706.836°C at 760 mmHg (Cal.)
• Flash point: 381.281°C (Cal.)