2-甲基-4-(1-哌嗪基)-10H-噻吩并[2,3-b][1,5]苯并二氮杂卓 | 161696-76-0
2-甲基-4-(1-哌嗪基)-10H-噻吩并[2,3-b][1,5]苯并二氮杂卓
N-Demethyl Olanzapine
161696-76-0
C16H18N4S
298.40592
名称和标识符
MDL |
MFCD09840321 |
InChIKey |
FHPIXVHJEIZKJW-UHFFFAOYSA-N |
Inchi |
1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3 |
SMILES |
CC1=CC2=C(NC3=CC=CC=C3N=C2N4CCNCC4)S1 |
别名信息
- 中文别名 -
- 2-甲基-4-(1-哌嗪基)-10H-噻吩并[2,3-b][1,5]苯并二氮杂卓
- 2,6-二异丙基-1,4-苯醌(丙泊酚杂质J)
- 2-甲基-4-(1-哌嗪基)-10H-噻吩并[2,3-b][1,5]苯并二氮杂
- 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
- N- De甲基奥氮平标准品
- N -去甲基奥氮平
- N-脱甲基奥氮平
- 奥氮平杂质6
- 奥氮平杂质F
- 去甲奥氮平杂质
- 奥氮平N-去甲基代谢物
- 英文别名 -
- 2-Methyl-4-(1-piperazinyl)-10H-thienol[2,3-b][1,5]benzodiazepine
- 10H-Thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(1-piperazinyl)-
- Desmethylolanzapine dihydrochloride solution
- N-Demethyl Olanzapine
- 2-methyl-4-piperazin-1-yl-5H-thieno[3,2-c][1,5]benzodiazepine
- Desmethylolanzapine dihydrochloride
- 4'-Desmethylolanzapine
- Desmethylolanzapine
- LY 170055
- Olanzapine Impurity 6
- Olanzapine N-DesMethyl Metabolite
- DesMethyl Olanzapine IMpurity (N-DesMethyl Olanzapine)
- 2-Methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
- CHEBI:168745
- BDBM50240701
- CS-W009963
- CHEMBL1125
- J633.722H
- N-Desmethylolanzapine
- 4-DESMETHYLOLANZAPINE
- MS-20583
- 161696-76-0
- SCHEMBL87103
- DTXSID30433226
- NS00005203
- FT-0665713
- 4'-N-desmethylolanzapine
- 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(1-piperazinyl)-
- MFCD09840321
- 2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-benzo[f]azulene
- F19399
- N-Desmethylolanzapine, 1mg/ml in Acetonitrile
- Q27275031
- 4'-N-desmethyl olanzapine
- DESMETHYLOLANZAPINE
- J-009851
- N-Desmethylolanzapine
- Desmethylolanzapine
- 2-Methyl-4-(1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine
- 4'-Desmethylolanzapine
- LY 170055
- N-Demethylolanzapine
- olanzapine, N-desmethyl
- FHPIXVHJEIZKJW-UHFFFAOYSA-N
- LY-170055
- N-desmethyl-olanzapine
- 2-methyl-4-(1-piperazinyl)-10H-thieno[2,3-b][1,5]benzo diazepine
- N-Demethylolanzapine
- 2-methyl-4-piperazin-1-yl-10h-thieno[2,3-b][1,5]benzodiazepine
- HY-W009247
- AKOS015914078
- 2-methyl-4-(1-piperazinyl)-10H-Thieno[2,3-b][1,5]benzodiazepine
- 2-Methyl-4-(piperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine
- UNII-C1053I7P65
- CYCLMWMLGIRJQE-UHFFFAOYSA-N
- C1053I7P65
- 2-METHYL-4-(1-PIPERAZINYL)-10H-THIENOL[2,3-B][1,5]BENZODIAZEPINE
物化性质
实验特性
LogP |
2.93730 |
PSA |
67.90000 |
折射率 |
1.742 |
沸点 |
489.2±55.0 °C at 760 mmHg |
熔点 |
144.5°C |
蒸气压 |
0.0±1.2 mmHg at 25°C |
闪点 |
华氏:55.4 °F 摄氏:13 °C
|
浓度 |
1.0 mg/mL in acetonitrile: water (1:1) (as free base) |
密度 |
1.4±0.1 g/cm3 |
计算特性
精确分子量 |
298.12500 |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
1 |
同位素质量 |
298.12521776g/mol |
重原子数量 |
21 |
复杂度 |
407 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
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) |
2.4 |
拓扑分子极性表面积 |
67.9Ų |
海关数据
海关编码 |
2934999090 |
海关数据 |
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
|