(4S,4aR,5R,5aS,11aS,12aS)-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# 54046-89-8]

Identification

• Name: (4S,4aR,5R,5aS,11aS,12aS)-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: 2-Naphthacenecarboxamide, 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-trioxo-, (4S,4aR,5R,5aS,11aS,12aR)-, 4-methylbenzenesulfonate (1:1)
• Molecular Formula: C₂₉H₂₉ClN₂O₁₁S
• Molecular Weight: 649.07
• CAS Registry Number: 54046-89-8
• EINECS: 258-935-7
• SMILES: Cc1ccc(cc1)S(=O)(=O)O.CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)c4cccc(c4C(=O)[C@@]3(C(=O)[C@]2(C(=O)C(=C1O)C(=O)N)O)Cl)O)O
• 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)/t12-,13+,14-,16-,21-,22-;/m0./s1
• InChIKey: PRDYRXHTBQXJAR-TWILLOBVSA-N