10-(beta-D-甘油-吡喃己酮糖基)-2-甲基-4-(4-甲基-1-哌嗪基)-10H-噻吩并[2,3-b][1,5]苯并二氮杂卓 | 186792-80-3
10-(beta-D-甘油-吡喃己酮糖基)-2-甲基-4-(4-甲基-1-哌嗪基)-10H-噻吩并[2,3-b][1,5]苯并二氮杂卓
b-D-Glucopyranuronic acid,1-deoxy-1-[2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepin-10-yl]-
186792-80-3
C23H28N4O6S
488.55662
名称和标识符
InChIKey |
GAMKTHIOQWRUNL-ZFORQUDYSA-N |
Inchi |
InChI=1S/C23H28N4O6S/c1-12-11-13-20(26-9-7-25(2)8-10-26)24-14-5-3-4-6-15(14)27(22(13)34-12)21-18(30)16(28)17(29)19(33-21)23(31)32/h3-6,11,16-19,21,28-30H,7-10H2,1-2H3,(H,31,32)/t16-,17-,18+,19-,21+/m0/s1 |
SMILES |
CN1CCN(C2=NC3=CC=CC=C3N([C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C3SC(=CC2=3)C)CC1 |
别名信息
- 中文别名 -
- 奥氮平-Β-D-葡糖苷酸
- 10-(beta-D-甘油-吡喃己酮糖基)-2-甲基-4-(4-甲基-1-哌嗪基)-10H-噻吩并[2,3-b][1,5]苯并二氮杂卓
- 英文别名 -
- b-D-Glucopyranuronic acid,1-deoxy-1-[2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepin-10-yl]-
- OLANZAPINE GLUCURONIDE
- b-D-Glucopyranuronic acid,1-deoxy-1-[2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5...
- Olanzapine β-D-Glucuronide DISCONTINUED
- 1-Deoxy-1-[2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepin-10-yl]-b-D-glucopyranuronic Acid
- 1-Deoxy-1-[2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepin-10-yl]--D-glucopyranuronic Acid
- Olanzapine Glucuronide DISCONTINUED
- Olanzapine-b-D-glucuronide
- Olanzapine-β-D-glucuronide
- GAMKTHIOQWRUNL-UHFFFAOYSA-N
- Olanzapine Glucuronide
DISCONTINUED
- Olanzapine β-D-Glucuronide
DISCONTINUED
- 186792-80-3
- Olanzapine glucuronide
- .BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-(2-METHYL-4-(4-METHYL-1-PIPERAZINYL)-10H-THIENO(2,3-B)(1,5)BENZODIAZEPIN-10-YL)-
- Q27273600
- (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepin-10-yl]oxane-2-carboxylic acid
- A432W914YR
- Olanzapine 10-N-glucuronide
- UNII-A432W914YR
- beta-D-Glucopyranuronic acid, 1-deoxy-1-(2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepin-10-yl)-
- Olanzapine ?-D-Glucuronide
物化性质
实验特性
LogP |
0.10230 |
PSA |
157.54000 |
计算特性
精确分子量 |
488.17300 |
氢键供体数量 |
4 |
氢键受体数量 |
10 |
可旋转化学键数量 |
3 |
同位素质量 |
488.17295580g/mol |
重原子数量 |
34 |
复杂度 |
795 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
5 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
-1.2 |
拓扑分子极性表面积 |
158Ų |