Apicycline
[CAS# 15599-51-6]

Identification

• Name: Apicycline
• Synonyms: 2-[[(Z)-[(4S,4As,5As,6S,12As)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-6-Methyl-1,3,12-Trioxo-4,4A,5,5A-Tetrahydrotetracen-2-Ylidene]-Hydroxy-Methyl]Amino]-2-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Acetic Acid; 2-[[(Z)-[(4S,4As,5As,6S,12As)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-6-Methyl-1,3,12-Trioxo-4,4A,5,5A-Tetrahydrotetracen-2-Ylidene]-Hydroxymethyl]Amino]-2-[4-(2-Hydroxyethyl)-1-Piperazinyl]Acetic Acid; 2-[[(Z)-[(4S,4As,5As,6S,12As)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-1,3,12-Triketo-6-Methyl-4,4A,5,5A-Tetrahydrotetracen-2-Ylidene]-Hydroxy-Methyl]Amino]-2-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Acetic Acid
• Molecular Formula: C₃₀H₃₈N₄O₁₁
• Molecular Weight: 630.65
• CAS Registry Number: 15599-51-6
• SMILES: [C@@H]23C[C@@H]1[C@](O)(C5=C(C(=C1C(=O)[C@]2(O)C(=O)\C(C(=O)[C@H]3N(C)C)=C(/O)NC(N4CCN(CC4)CCO)C(O)=O)O)C(=CC=C5)O)C
• InChI: 1S/C30H38N4O11/c1-29(44)14-5-4-6-17(36)18(14)22(37)19-15(29)13-16-21(32(2)3)23(38)20(25(40)30(16,45)24(19)39)27(41)31-26(28(42)43)34-9-7-33(8-10-34)11-12-35/h4-6,15-16,21,26,31,35-37,41,44-45H,7-13H2,1-3H3,(H,42,43)/b27-20-/t15-,16-,21-,26?,29+,30-/m0/s1
• InChIKey: LQNZELSVXWEYTG-OJGPCBPLSA-N

Properties

• Density: 1.624g/cm³ (Cal.)
• Boiling point: 876.217°C at 760 mmHg (Cal.)
• Flash point: 483.719°C (Cal.)