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| Name | Ciladopa |
|---|---|
| Synonyms | 2-[4-[(2S)-2-(3,4-Dimethoxyphenyl)-2-Hydroxy-Ethyl]Piperazin-1-Yl]Cyclohepta-2,4,6-Trien-1-One; 2-[4-[(2S)-2-(3,4-Dimethoxyphenyl)-2-Hydroxyethyl]-1-Piperazinyl]-1-Cyclohepta-2,4,6-Trienone; 2,4,6-Cycloheptatrien-1-One, 2-(4-(2-(3,4-Dimethoxyphenyl)-2-Hydroxyethyl)-1-Piperazinyl)-, (S)- |
| Molecular Structure |  |
| Molecular Formula | C21H26N2O4 |
| Molecular Weight | 370.45 |
| CAS Registry Number | 80109-27-9 |
| SMILES | [C@@H](CN2CCN(C1=CC=CC=CC1=O)CC2)(C3=CC(=C(OC)C=C3)OC)O |
| InChI | 1S/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/m1/s1 |
| InChIKey | SGEKLKJQLHJVDK-LJQANCHMSA-N |
| Density | 1.213g/cm3 (Cal.) |
|---|---|
| Boiling point | 571.648°C at 760 mmHg (Cal.) |
| Flash point | 299.522°C (Cal.) |
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