N-[(E)-[(4S,4aS,5aR,12aS)-4,7-Bis(Dimethylamino)-10,11,12a-Trihydroxy-1,3,12-Trioxo-4a,5,5a,6-Tetrahydro-4H-Tetracen-2-Ylidene]-Hydroxymethyl]-2-Dimethylaminoacetamide
[CAS# 154445-07-5]

Identification

• Name: N-[(E)-[(4S,4aS,5aR,12aS)-4,7-Bis(Dimethylamino)-10,11,12a-Trihydroxy-1,3,12-Trioxo-4a,5,5a,6-Tetrahydro-4H-Tetracen-2-Ylidene]-Hydroxymethyl]-2-Dimethylaminoacetamide
• Synonyms: N-[(E)-[(4S,4As,5Ar,12As)-4,7-Bis(Dimethylamino)-10,11,12A-Trihydroxy-1,3,12-Trioxo-4A,5,5A,6-Tetrahydro-4H-Tetracen-2-Ylidene]-Hydroxy-Methyl]-2-Dimethylamino-Acetamide; N-[(E)-[(4S,4As,5Ar,12As)-4,7-Bis(Dimethylamino)-10,11,12A-Trihydroxy-1,3,12-Triketo-4A,5,5A,6-Tetrahydro-4H-Tetracen-2-Ylidene]-Hydroxy-Methyl]-2-Dimethylamino-Acetamide; N-[(E)-[(4S,4As,5Ar,12As)-4,7-Bis(Dimethylamino)-10,11,12A-Trihydroxy-1,3,12-Trioxo-4A,5,5A,6-Tetrahydro-4H-Tetracen-2-Ylidene]-Hydroxy-Methyl]-2-Dimethylamino-Ethanamide
• Molecular Formula: C₂₇H₃₄N₄O₈
• Molecular Weight: 542.59
• CAS Registry Number: 154445-07-5
• SMILES: [C@H]34[C@](O)(C(=O)C2=C(O)C1=C(O)C=CC(=C1C[C@H]2C3)N(C)C)C(=O)\C(C(=O)[C@H]4N(C)C)=C(\O)NC(=O)CN(C)C
• InChI: 1S/C27H34N4O8/c1-29(2)11-17(33)28-26(38)20-23(35)21(31(5)6)14-10-12-9-13-15(30(3)4)7-8-16(32)19(13)22(34)18(12)24(36)27(14,39)25(20)37/h7-8,12,14,21,32,34,38-39H,9-11H2,1-6H3,(H,28,33)/b26-20+/t12-,14-,21-,27-/m0/s1
• InChIKey: GSJFOOBHOQSVPZ-YLLKWKNDSA-N

Properties

• Density: 1.483g/cm³ (Cal.)
• Boiling point: 747.638°C at 760 mmHg (Cal.)
• Flash point: 405.957°C (Cal.)