(4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-8-methoxy-6-methyl-1,11-dioxo-2-Naphthacenecarboxamide
[CAS# 110298-63-0]

Identification

• Name: (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-8-methoxy-6-methyl-1,11-dioxo-2-Naphthacenecarboxamide
• Synonyms: (2Z,4S,4As,5As,6S,12As)-2-(Amino-Hydroxy-Methylene)-7-Chloro-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-8-Methoxy-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; (2Z,4S,4As,5As,6S,12As)-2-(Amino-Hydroxymethylene)-7-Chloro-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-8-Methoxy-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; (2Z,4S,4As,5As,6S,12As)-2-(Amino-Hydroxy-Methylidene)-7-Chloro-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-8-Methoxy-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione
• Molecular Formula: C₂₃H₂₅ClN₂O₉
• Molecular Weight: 508.91
• CAS Registry Number: 110298-63-0
• SMILES: [C@@H]23C[C@@H]1[C@](O)(C4=C(C(=C1C(=O)[C@]2(O)C(=O)\C(C(=O)[C@H]3N(C)C)=C(/O)N)O)C(=CC(=C4Cl)OC)O)C
• InChI: 1S/C23H25ClN2O9/c1-22(33)7-5-8-16(26(2)3)18(29)13(21(25)32)20(31)23(8,34)19(30)11(7)17(28)12-9(27)6-10(35-4)15(24)14(12)22/h6-8,16,27-28,32-34H,5,25H2,1-4H3/b21-13-/t7-,8-,16-,22-,23-/m0/s1
• InChIKey: JGJJWXJCQDGALF-OLBNAEGQSA-N

Properties

• Density: 1.681g/cm³ (Cal.)
• Boiling point: 741.006°C at 760 mmHg (Cal.)
• Flash point: 401.946°C (Cal.)