Actinomycin D1
[CAS# 72766-92-8]

Identification

• Name: Actinomycin D1
• Synonyms: [2-[[8-Amino-1,9-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)Carbamoyl]-4,6-Dimethyl-7-Oxo-Phenoxazin-3-Yl]Amino]-2-Oxo-Ethyl] 2-Amino-3-Methyl-Butanoate; 2-Amino-3-Methylbutanoic Acid [2-[[8-Amino-1,9-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)Amino]-Oxomethyl]-4,6-Dimethyl-7-Oxo-3-Phenoxazinyl]Amino]-2-Oxoethyl] Ester; 2-Amino-3-Methyl-Butyric Acid [2-[[8-Amino-1,9-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)Carbamoyl]-7-Keto-4,6-Dimethyl-Phenoxazin-3-Yl]Amino]-2-Keto-Ethyl] Ester
• Molecular Formula: C₆₉H₉₈N₁₄O₁₉
• Molecular Weight: 1427.62
• CAS Registry Number: 72766-92-8
• SMILES: C3=C(NC(=O)COC(=O)C(N)C(C)C)C(=C2OC1=C(C(=O)C(=C(C1=NC2=C3C(=O)NC4C(=O)NC(C(=O)N5C(C(=O)N(CC(=O)N(C(C(OC4C)=O)C(C)C)C)C)CCC5)C(C)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)N)C)C
• InChI: 1S/C69H98N14O19/c1-29(2)46(70)67(96)99-28-42(84)72-39-25-38(59(88)76-50-36(13)100-68(97)54(32(7)8)80(17)43(85)26-78(15)63(92)40-21-19-23-82(40)65(94)48(30(3)4)74-61(50)90)52-57(34(39)11)102-58-35(12)56(87)47(71)45(53(58)73-52)60(89)77-51-37(14)101-69(98)55(33(9)10)81(18)44(86)27-79(16)64(93)41-22-20-24-83(41)66(95)49(31(5)6)75-62(51)91/h25,29-33,36-37,40-41,46,48-51,54-55H,19-24,26-28,70-71H2,1-18H3,(H,72,84)(H,74,90)(H,75,91)(H,76,88)(H,77,89)
• InChIKey: YSIALVLPAPHPRR-UHFFFAOYSA-N

Properties

• Density: 1.438g/cm³ (Cal.)
• Boiling point: 1459.773°C at 760 mmHg (Cal.)
• Flash point: 836.64°C (Cal.)