Tallimustine
[CAS# 115308-98-0]

Identification

• Classification: API >> Antineoplastic agents >> Alkylating agent
• Name: Tallimustine
• Synonyms: N-[5-[(3-Amino-3-Imino-Propyl)Carbamoyl]-1-Methyl-Pyrrol-3-Yl]-4-[[4-[[4-[Bis(2-Chloroethyl)Amino]Benzoyl]Amino]-1-Methyl-Pyrrole-2-Carbonyl]Amino]-1-Methyl-Pyrrole-2-Carboxamide; N-[5-[[(3-Amino-3-Iminopropyl)Amino]-Oxomethyl]-1-Methyl-3-Pyrrolyl]-4-[[[4-[[[4-[Bis(2-Chloroethyl)Amino]Phenyl]-Oxomethyl]Amino]-1-Methyl-2-Pyrrolyl]-Oxomethyl]Amino]-1-Methyl-2-Pyrrolecarboxamide; N-[5-[(3-Amino-3-Imino-Propyl)Carbamoyl]-1-Methyl-Pyrrol-3-Yl]-4-[[4-[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Carbonylamino]-1-Methyl-Pyrrol-2-Yl]Carbonylamino]-1-Methyl-Pyrrole-2-Carboxamide
• Molecular Formula: C₃₂H₃₈Cl₂N₁₀O₄
• Molecular Weight: 697.62
• CAS Registry Number: 115308-98-0
• SMILES: C1=C([N](C=C1NC(C2=CC(=C[N]2C)NC(C3=CC=C(N(CCCl)CCCl)C=C3)=O)=O)C)C(NC4=C[N](C)C(=C4)C(NCCC(N)=N)=O)=O
• InChI: 1S/C32H38Cl2N10O4/c1-41-18-22(14-25(41)30(46)37-11-8-28(35)36)39-32(48)27-16-23(19-43(27)3)40-31(47)26-15-21(17-42(26)2)38-29(45)20-4-6-24(7-5-20)44(12-9-33)13-10-34/h4-7,14-19H,8-13H2,1-3H3,(H3,35,36)(H,37,46)(H,38,45)(H,39,48)(H,40,47)
• InChIKey: ARKYUICTMUZVEW-UHFFFAOYSA-N

Properties

• Density: 1.415g/cm³ (Cal.)