4-[[4-[[4-[Bis(2-Chloroethyl)Amino]Benzoyl]Amino]-1-Methylimidazole-2-Carbonyl]Amino]-N-(2-Dimethylaminoethyl)-1-Methylimidazole-2-Carboxamide
[CAS# 147056-64-2]

Identification

• Name: 4-[[4-[[4-[Bis(2-Chloroethyl)Amino]Benzoyl]Amino]-1-Methylimidazole-2-Carbonyl]Amino]-N-(2-Dimethylaminoethyl)-1-Methylimidazole-2-Carboxamide
• Synonyms: 4-[[4-[[4-[Bis(2-Chloroethyl)Amino]Benzoyl]Amino]-1-Methyl-Imidazole-2-Carbonyl]Amino]-N-(2-Dimethylaminoethyl)-1-Methyl-Imidazole-2-Carboxamide; 4-[[[4-[[[4-[Bis(2-Chloroethyl)Amino]Phenyl]-Oxomethyl]Amino]-1-Methyl-2-Imidazolyl]-Oxomethyl]Amino]-N-(2-Dimethylaminoethyl)-1-Methyl-2-Imidazolecarboxamide; 4-[[4-[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Carbonylamino]-1-Methyl-Imidazol-2-Yl]Carbonylamino]-N-(2-Dimethylaminoethyl)-1-Methyl-Imidazole-2-Carboxamide
• Molecular Formula: C₂₅H₃₃Cl₂N₉O₃
• Molecular Weight: 578.50
• CAS Registry Number: 147056-64-2
• SMILES: C1=C(N=C([N]1C)C(=O)NC2=C[N](C(=N2)C(=O)NCCN(C)C)C)NC(=O)C3=CC=C(N(CCCl)CCCl)C=C3
• InChI: 1S/C25H33Cl2N9O3/c1-33(2)14-11-28-24(38)21-29-20(16-34(21)3)32-25(39)22-30-19(15-35(22)4)31-23(37)17-5-7-18(8-6-17)36(12-9-26)13-10-27/h5-8,15-16H,9-14H2,1-4H3,(H,28,38)(H,31,37)(H,32,39)
• InChIKey: DKABPCCFZSSDAH-UHFFFAOYSA-N

Properties

• Density: 1.369g/cm³ (Cal.)