CX8
Summary
| Name: | [2-{3-[(R)-(2-{(S)-[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione]chloridoplatinum |
| Formula: | C19 H24 Cl N4 O2 Pt |
| Formal charge: | null |
| Formula weight: | 570.95 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [2-{3-[(R)-(2-{(S)-[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione]chloridoplatinum |
| OpenEye OEToolkits | 3.1.0.0 | 2-[3-(1-chloranyl-2$l^{4},5$l^{4},8$l^{4}-triaza-1$l^{4}-platinabicyclo[3.3.0]octan-2-yl)propyl]benzo[de]isoquinoline-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cl[Pt]12[NH2]CC[NH]1CC[NH]2CCCN1C(=O)c2cccc3cccc(c23)C1=O |
| InChI | InChI | 1.06 | InChI=1S/C19H24N4O2.ClH.Pt/c20-8-10-22-12-11-21-9-3-13-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25;;/h1-2,4-7,21-22H,3,8-13,20H2;1H;/q;;+1/p-1 |
| InChIKey | InChI | 1.06 | JUEFGEYNECTJNR-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCNCCNCCCN1C(=O)c2cccc3cccc(C1=O)c23.Cl[Pt] |
| SMILES | CACTVS | 3.385 | NCCNCCNCCCN1C(=O)c2cccc3cccc(C1=O)c23.Cl[Pt] |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[NH]4CC[NH]5[Pt]4([NH2]CC5)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[NH]4CC[NH]5[Pt]4([NH2]CC5)Cl |
