CR 731
2-chloro-N-[1-(dibutylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C38H55ClN4O10 |
|---|---|
| Molecular Weight | 763.3 g/mol |
| Topological Polar Surface Area | 197.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 762.36066 |
| Heavy Atoms | 53 |
| Complexity | 944.0 |
Chemical Identifiers
| CAS Number | 57228-15-6 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)C)NC(=O)C3=CC=CC=C3Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | WBRXRUGEXIERBE-UHFFFAOYSA-N |
📖 Product Overview
CR 731 (CAS: 57228-15-6) is a chemical compound with molecular formula C38H55ClN4O10 and molecular weight 763.3 g/mol. Its IUPAC systematic name is 2-chloro-N-[1-(dibutylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid.
WBRXRUGEXIERBE-UHFFFAOYSA-N.
SMILES: CCCCN(CCCC)C(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)C)NC(=O)C3=CC=CC=C3Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.
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