2H-1-Benzopyran-6-carbonitrile, 4-[(4-chlorophenyl)(1H-iMidazol-2-ylMethyl)aMino]-3,4-dihydro-3-hydroxy-2,2-diMethyl-, Monohydrochloride, (3R,4S)- (9CI) 基本信息
| 中文名称 | 2H-1-Benzopyran-6-carbonitrile, 4-[(4-chlorophenyl)(1H-iMidazol-2-ylMethyl)aMino]-3,4-dihydro-3-hydroxy-2,2-diMethyl-, Monohydrochloride, (3R,4S)- (9CI) |
|---|---|
| 中文同义词 | 化合物 BMS-191095 hydrochloride |
| 英文名称 | 2H-1-Benzopyran-6-carbonitrile, 4-[(4-chlorophenyl)(1H-iMidazol-2-ylMethyl)aMino]-3,4-dihydro-3-hydroxy-2,2-diMethyl-, Monohydrochloride, (3R,4S)- (9CI) |
| 英文同义词 | 2H-1-Benzopyran-6-carbonitrile, 4-[(4-chlorophenyl)(1H-iMidazol-2-ylMethyl)aMino]-3,4-dihydro-3-hydroxy-2,2-diMethyl-, Monohydrochloride, (3R,4S)- (9CI);(3R,4S)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile:hydrochloride;BMS-191095 hydrochloride >=98% (HPLC);BMS-191095 hydrochloride |
| CAS号 | 166095-95-0 |
| 分子式 | C22H22Cl2N4O2 |
| 分子量 | 445.34168 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 166095-95-0.mol |
| 结构式 | ![2H-1-Benzopyran-6-carbonitrile, 4-[(4-chlorophenyl)(1H-iMidazol-2-ylMethyl)aMino]-3,4-dihydro-3-hydroxy-2,2-diMethyl-, Monohydrochloride, (3R,4S)- (9CI) 结构式](CAS/GIF/166095-95-0.gif) |
2H-1-Benzopyran-6-carbonitrile, 4-[(4-chlorophenyl)(1H-iMidazol-2-ylMethyl)aMino]-3,4-dihydro-3-hydroxy-2,2-diMethyl-, Monohydrochloride, (3R,4S)- (9CI) 性质
| 储存条件 | room temp |
|---|---|
| 溶解度 | DMSO: 20mg/mL, clear |
| 形态 | powder |
| 颜色 | white to beige |
| InChIKey | TZLMTXNZECPICU-JUDYQFGCSA-N |
| SMILES | CC1(C)OC2=CC=C(C#N)C=C2[C@H](N(CC3=NC=CN3)C4=CC=C(Cl)C=C4)[C@H]1O.[H]Cl |
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |
| 危险性类别 | 眼部刺激 类别2 经皮刺激 类别2 特异性靶器官毒性-一次接触，类别3 |