4-(Dimethylamino)-6,10,11,12a-tetrahydroxy-2-{hydroxy[(1-pyrrolidinylmethyl)amino]methylene}-6-methyl-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione
[CAS# 68060-64-0]

Identification

• Name: 4-(Dimethylamino)-6,10,11,12a-tetrahydroxy-2-{hydroxy[(1-pyrrolidinylmethyl)amino]methylene}-6-methyl-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione
• Synonyms: 4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide; NSC50352
• Molecular Formula: C₂₇H₃₃N₃O₈
• Molecular Weight: 527.57
• CAS Registry Number: 68060-64-0
• SMILES: O=C4C(=C(O)NCN1CCCC1)C(=O)C5(O)C(=O)\C3=C(/O)c2c(O)cccc2C(O)(C)C3CC5C4N(C)C
• InChI: 1S/C27H33N3O8/c1-26(37)13-7-6-8-16(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)28-12-30-9-4-5-10-30/h6-8,14-15,20,28,31-32,36-38H,4-5,9-12H2,1-3H3
• InChIKey: YHDPWEWZPGTMMU-UHFFFAOYSA-N

Properties

• Density: 1.542g/cm³ (Cal.)
• Boiling point: 735.935°C at 760 mmHg (Cal.)
• Flash point: 398.879°C (Cal.)