Actinomycin D2
[CAS# 72751-56-5]

Identification

• Name: Actinomycin D2
• Synonyms: Actinomycin D-2; Actinomycin D2; Amd-2
• Molecular Formula: C₇₆H₁₀₉N₁₅O₂₂
• Molecular Weight: 1584.78
• CAS Registry Number: 72751-56-5
• SMILES: C1=C(C(=C7C(=C1C(NC2C(OC(C(N(C(CN(C(C3N(C(C(NC2=O)C(C)C)=O)CCC3)=O)C)=O)C)C(C)C)=O)C)=O)N=C4C(=C(C(C(=C4C(NC5C(OC(C(N(C(CN(C(C6N(C(C(NC5=O)C(C)C)=O)CCC6)=O)C)=O)C)C(C)C)=O)C)=O)N)=O)C)O7)C)NC(COC(C(C(C)C)NC(COC(C(C(C)C)N)=O)=O)=O)=O
• InChI: 1S/C76H109N15O22/c1-32(2)51(77)73(105)109-31-47(93)80-55(35(7)8)74(106)110-30-46(92)79-43-27-42(65(97)84-56-40(15)111-75(107)60(36(9)10)88(19)48(94)28-86(17)69(101)44-23-21-25-90(44)71(103)53(33(3)4)82-67(56)99)58-63(38(43)13)113-64-39(14)62(96)52(78)50(59(64)81-58)66(98)85-57-41(16)112-76(108)61(37(11)12)89(20)49(95)29-87(18)70(102)45-24-22-26-91(45)72(104)54(34(5)6)83-68(57)100/h27,32-37,40-41,44-45,51,53-57,60-61H,21-26,28-31,77-78H2,1-20H3,(H,79,92)(H,80,93)(H,82,99)(H,83,100)(H,84,97)(H,85,98)
• InChIKey: SEGUUECEFSYLBO-UHFFFAOYSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 1541.4°C at 760 mmHg (Cal.)
• Flash point: 886°C (Cal.)