2-Deaminoactinomycin D
[CAS# 10118-32-8]

Identification

• Name: 2-Deaminoactinomycin D
• Synonyms: N,N'-Bis(3,10-Diisopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-4,6-Dimethyl-3-Oxo-Phenoxazine-1,9-Dicarboxamide; N,N'-Bis(3,10-Diisopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-4,6-Dimethyl-3-Oxophenoxazine-1,9-Dicarboxamide; N,N'-Bis(3,10-Diisopropyl-2,5,9,12,15-Pentaketo-7,11,14-Trimethyl-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-3-Keto-4,6-Dimethyl-Phenoxazine-1,9-Dicarboxamide
• Molecular Formula: C₆₂H₈₅N₁₁O₁₆
• Molecular Weight: 1240.42
• CAS Registry Number: 10118-32-8
• SMILES: C5=C(C2=C(OC1=C(C(=O)C=C(C1=N2)C(=O)NC3C(=O)NC(C(=O)N4C(C(=O)N(CC(=O)N(C(C(OC3C)=O)C(C)C)C)C)CCC4)C(C)C)C)C(=C5)C)C(=O)NC6C(=O)NC(C(=O)N7C(C(=O)N(CC(=O)N(C(C(OC6C)=O)C(C)C)C)C)CCC7)C(C)C
• InChI: 1S/C62H85N11O16/c1-28(2)43-59(83)72-23-17-19-38(72)57(81)68(13)26-41(75)70(15)49(30(5)6)61(85)87-34(11)45(55(79)64-43)66-53(77)36-22-21-32(9)51-47(36)63-48-37(25-40(74)33(10)52(48)89-51)54(78)67-46-35(12)88-62(86)50(31(7)8)71(16)42(76)27-69(14)58(82)39-20-18-24-73(39)60(84)44(29(3)4)65-56(46)80/h21-22,25,28-31,34-35,38-39,43-46,49-50H,17-20,23-24,26-27H2,1-16H3,(H,64,79)(H,65,80)(H,66,77)(H,67,78)
• InChIKey: ZOWMRHVAQGTFTG-UHFFFAOYSA-N

Properties

• Density: 1.403g/cm³ (Cal.)
• Boiling point: 1385.993°C at 760 mmHg (Cal.)
• Flash point: 792.02°C (Cal.)