7-[[(1H-Pyrrol-2-Yl)Methyl]Amino]Actinomycin D
[CAS# 67230-67-5]

Identification

• Name: 7-[[(1H-Pyrrol-2-Yl)Methyl]Amino]Actinomycin D
• Synonyms: 2-Amino-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-7-(1H-Pyrrol-2-Ylmethylamino)Phenoxazine-1,9-Dicarboxamide; 2-Amino-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-7-(1H-Pyrrol-2-Ylmethylamino)Phenoxazine-1,9-Dicarboxamide; Actinomycin D, 7-((2-Pyrrolylmethyl)Amino)-
• Molecular Formula: C₆₇H₉₂N₁₄O₁₆
• Molecular Weight: 1349.55
• CAS Registry Number: 67230-67-5
• SMILES: C1=C([NH]C=C1)CNC2=CC(=C4C(=C2C)OC3=C(C(C(=C(C3=N4)C(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)C(NC7C(OC(C(N(C(CN(C(C8N(C(C(NC7=O)C(C)C)=O)CCC8)=O)C)=O)C)C(C)C)=O)C)=O
• InChI: 1S/C67H92N14O16/c1-30(2)47-64(91)80-24-18-21-41(80)62(89)76(13)28-43(82)78(15)53(32(5)6)66(93)95-36(11)49(60(87)72-47)74-58(85)39-26-40(70-27-38-20-17-23-69-38)34(9)56-51(39)71-52-45(46(68)55(84)35(10)57(52)97-56)59(86)75-50-37(12)96-67(94)54(33(7)8)79(16)44(83)29-77(14)63(90)42-22-19-25-81(42)65(92)48(31(3)4)73-61(50)88/h17,20,23,26,30-33,36-37,41-42,47-50,53-54,69-70H,18-19,21-22,24-25,27-29,68H2,1-16H3,(H,72,87)(H,73,88)(H,74,85)(H,75,86)
• InChIKey: JKOATCWIBNADRV-UHFFFAOYSA-N

Properties

• Density: 1.434g/cm³ (Cal.)
• Boiling point: 1443.524°C at 760 mmHg (Cal.)
• Flash point: 826.813°C (Cal.)