Morphocycline
[CAS# 3098-60-0]

Identification

• Name: Morphocycline
• Synonyms: (2E,4S,4As,5As,6S,12As)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-2-[Hydroxy-(Morpholinomethylamino)Methylene]-6-Methyl-4,4A,5,5A-Tetrahydrotetracene-1,3,12-Trione; Morphocyclin; 2-Naphthacenecarboxamide, 4-(Dimethylamino)-1,4,4A,5,5A,6,11,12A-Octahydro-3,6,10,12,12A-Pentahydroxy-6-Methyl-N-(4-Morpholinylmethyl)-1,11-Dioxo-, (4S,4As,5As,6S,12As)-
• Molecular Formula: C₂₇H₃₃N₃O₉
• Molecular Weight: 543.57
• CAS Registry Number: 3098-60-0
• 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)NCN4CCOCC4)O)C(=CC=C5)O)C
• InChI: 1S/C27H33N3O9/c1-26(37)13-5-4-6-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-7-9-39-10-8-30/h4-6,14-15,20,28,31-32,36-38H,7-12H2,1-3H3/b25-19+/t14-,15-,20-,26+,27-/m0/s1
• InChIKey: VKQYEUPIROKTHF-OOADSCLLSA-N

Properties

• Density: 1.561g/cm³ (Cal.)
• Boiling point: 755.66°C at 760 mmHg (Cal.)
• Flash point: 410.809°C (Cal.)