(4S-(4alpha,4aalpha,5alpha,5aalpha,6beta,12aalpha))-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-Octahydro-3,5,6,10,12,12a-Hexahydroxy-6-Methyl-1,11-Dioxo-2-Naphthacenecarboxamide
[CAS# 130030-61-4]

Identification

• Name: (4S-(4alpha,4aalpha,5alpha,5aalpha,6beta,12aalpha))-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-Octahydro-3,5,6,10,12,12a-Hexahydroxy-6-Methyl-1,11-Dioxo-2-Naphthacenecarboxamide
• Synonyms: 2-Naphthacenecarboxamide, 4-(Dimethylamino)-1,4,4A,5,5A,6,11,12A-Octahydro-3,5,6,10,12,12A-Hexahydroxy-6-Methyl-1,11-Dioxo-, (4S-(4Alpha,4Aaopha,5Aopha,5Aalpha,6Beta,12Aalpha))-, Mixt. With 1,3,5,7-Tetraazatricyclo(3.3.1.1(3.7))Decane; Geovet; Heovet
• Molecular Formula: C₄₂H₄₈N₈O₉
• Molecular Weight: 808.89
• CAS Registry Number: 130030-61-4
• SMILES: [C@@H]23[C@@H](O)[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=C4)O)C.C(C6=NC5=CC=CC=C5[NH]6)C7=CC=CC=C7.C8N9CN%10CN8CN(C9)C%10
• InChI: 1S/C22H24N2O9.C14H12N2.C6H12N4/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14;1-7-2-9-4-8(1)5-10(3-7)6-9/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;1-9H,10H2,(H,15,16);1-6H2/b20-11-;;/t12-,13-,14+,17+,21-,22+;;/m1../s1
• InChIKey: KCWFNZBHRUQXJK-ZGYDFYMOSA-N

Properties

• Boiling point: 727.8°C at 760 mmHg (Cal.)
• Flash point: 394°C (Cal.)