11A-Chloro-4-(Dimethylamino)-3,5,10,12A-Tetrahydroxy-6-Methylene-1,11,12-Trioxo-1,4,4A,5,5A,6,11,11A,12,12A-Decahydro-2-Tetracenecarboxamide 4-Methylbenzenesulfonate (1:1)
[CAS# 39649-76-8]

Identification

• Name: 11A-Chloro-4-(Dimethylamino)-3,5,10,12A-Tetrahydroxy-6-Methylene-1,11,12-Trioxo-1,4,4A,5,5A,6,11,11A,12,12A-Decahydro-2-Tetracenecarboxamide 4-Methylbenzenesulfonate (1:1)
• Synonyms: 11a-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxonaphthacene-2-carboxamide mono(toluene-p-sulphonate)
• Molecular Formula: C₂₉H₂₉ClN₂O₁₁S
• Molecular Weight: 649.07
• CAS Registry Number: 39649-76-8
• EINECS: 254-562-9
• SMILES: OS(=O)(=O)c1ccc(C)cc1.NC(=O)C=2C(=O)C3(O)C(=O)C4(Cl)C(=O)c1c(O)cccc1C(=C)C4C(O)C3C(C=2O)N(C)C
• InChI: 1S/C22H21ClN2O8.C7H8O3S/c1-7-8-5-4-6-9(26)10(8)17(29)21(23)12(7)16(28)13-14(25(2)3)15(27)11(19(24)31)18(30)22(13,33)20(21)32;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,12-14,16,26-28,33H,1H2,2-3H3,(H2,24,31);2-5H,1H3,(H,8,9,10)
• InChIKey: PRDYRXHTBQXJAR-UHFFFAOYSA-N

Properties

• Boiling point: 977.4°C at 760 mmHg (Cal.)
• Flash point: 544.9°C (Cal.)