Tallimustine
N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methylpyrrole-2-carboxamide
| Molecular Formula | C32H38Cl2N10O4 |
|---|---|
| Molecular Weight | 697.6 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 184.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 696.2455 |
| Heavy Atoms | 48 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 115308-98-0 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl |
| InChIKey | ARKYUICTMUZVEW-UHFFFAOYSA-N |
📖 Product Overview
Tallimustine (CAS: 115308-98-0) is a chemical compound with molecular formula C32H38Cl2N10O4 and molecular weight 697.6 g/mol. Its IUPAC systematic name is N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methylpyrrole-2-carboxamide.
ARKYUICTMUZVEW-UHFFFAOYSA-N.
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl.
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