7-Isoquinolinol,1,2,3,4-tetrahydro-1-[[4-hydroxy-3-[4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-,(1R)-
- 中文别名：蝙蝠葛苏林碱
- 中文释义：蝙蝠葛苏林碱;北豆根苏林碱
- 英文别名：daurisoline;
D 610;
O(sup 7)-Demethyldauricine;
(R-(R*,R*))-1,2,3,4-Tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-7-isoquinolinol;
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-, (R-(R*,R*))-;
(1R)-1-[3-(4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-4-hydroxybenzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol;
Daurisoline;
3-carboxy-1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxoquinoline monomethanesulphonate;
6-Chloro-4-hydroxy-2-methyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxylic acid methyl ester 1,1-dioxide;
LornoxicamConsultedStandard;
(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylidene]-2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2]thiazin-4-one 1,1-dioxide;
6-chloro-4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide;
Lor
- CAS No.：70553-76-3
- 分子式：C37H42N2O6
- 分子量：610.7392
- 精确分子量：610.30400
- PSA：83.86000
- InChI：InChI=1/C37H42N2O6/c1-38-15-13-26-20-36(43-4)37(44-5)22-29(26)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-33(41)34(42-3)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
- 分子结构式：
物化性质
- 外观与性状：
- 淡黄色粉末
- 密度：
- 1.218 g/cm3
- 熔点：
- 96-102ºC
- 沸点：
- 724.5ºC at 760 mmHg
- 闪点：
- 392ºC
- 折射率：
- 1.618
安全信息
- 外观与性状：
- 淡黄色粉末
- 密度：
- 1.218 g/cm3
- 熔点：
- 96-102ºC
- 沸点：
- 724.5ºC at 760 mmHg
- 闪点：
- 392ºC
- 折射率：
- 1.618
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NX5995000
- CHEMICAL NAME :
- 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetra hydro-6,7-dimethoxy-2- methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)- 6-methoxy-2-methyl-, (R-(R*,R*))-
- CAS REGISTRY NUMBER :
- 70553-76-3
- LAST UPDATED :
- 198103
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C37-H42-N2-O6
- MOLECULAR WEIGHT :
- 610.81
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1250 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1953- Suspended 1966-78. Volume(issue)/page/year: 14,439,1979
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:6.4
2.氢键供体数量:2
3.氢键受体数量:8
4.可旋转化学键数量:9
5.互变异构体数量:8
6.拓扑分子极性表面积:83.9
7.重原子数量:45
8.表面电荷:0
9.复杂度:917
10.同位素原子数量:0
11.确定原子立构中心数量:2
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
