
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 76997-30-3 |
| Catalog No. | 2A-9048066 |
| Chinese Name | 阿米三嗪-萝巴新 |
| Synonyms | Duxil |
| Molecular Formula | C47H53F2N9O3 |
| Molecular Weight | 829.97900 |
| Purity | 98.00 |
| Boiling Point | 606.2ºC at 760 mmHg |
| PubChem ID | 36078919 |
| SMILES | C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1.COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |
| InChI | InChI=1S/C26H29F2N7.C21H24N2O3/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t;12-,15-,16+,19-/m.0/s1 |
| InChI Key | LWKZCNVWFBSPKH-FVLLGJNOSA-N |
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