Tirbanibulin
化学名:Tirbanibulin
CAS番号.897016-82-9
英語名:Tirbanibulin
CBNumberCB02561484
MFC26H29N3O3
MW431.53
MOL File897016-82-9.mol
别名
チルバニブリン
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Tirbanibulin物理性質
| 沸点 | 680.9±55.0 °C(Predicted) |
| 比重(密度) | 1.169 |
| 貯蔵温度 | Store at -20°C |
| 溶解性 | insoluble in H2O; ≥121 mg/mL in DMSO; ≥2.44 mg/mL in EtOH with gentle warming and ultrasonic |
| 外見 | Powder |
| 酸解離定数(Pka) | 14.73±0.46(Predicted) |
| 色 | White to off-white |
| InChI | InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30) |
| InChIKey | HUNGUWOZPQBXGX-UHFFFAOYSA-N |
| SMILES | C1(CC(NCC2=CC=CC=C2)=O)=NC=C(C2=CC=C(OCCN3CCOCC3)C=C2)C=C1 |
