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RS 79948盐酸盐 基本信息
- 中文名称:
- RS 79948盐酸盐
- 中文别名:
- RS 79948盐酸盐;
(8ar,12as,13as)-5,8,8a,9,10,11,12,12a,13,13a-Decahydro-3-Methoxy-12-(Ethylsulfonyl)-6h-Isoquino[2,1-G][1,6]Naphthyridine Hydrochloride Rs 79948 Hydrochloride (8aR,12aS,13aS)-5,8,8a,9,10,11,12,12a,13,13a-Dechydro-3-methoxy-12-(ethylsulfonyl)-6H-isoquino[2,
- 英文名称:
- RS 79948 Hydrochloride
- 英文别名:
- (8aR,12aS,13aS)-12-ethylsulfonyl-3-methoxy-6,7,8,8a,9,10,11,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridin-7-ium;
(8AR,12AS,13AS)-5,8,8A,9,10,11,12,12A,13,13A-DECAHYDRO-3-METHOXY-12-(ETHYLSULFONYL)-6H-ISOQUINO[2,1-;
(8AR,12AS,13AS)-5,8,8A,9,10,11,12,12A,13,13A-DECAHYDRO-3-METHOXY-12-(ETHYLSULFONYL)-6H-ISOQUINO[2,1-G][1,6]NAPHTHYRIDINE HYDROCHLORIDE;
RS 79948 HYDROCHLORIDE;
(8aR,12aS,13aS)-5,8,8a,9,10,11,12,12a,13,13a-Dechydro-3-methoxy-12-(ethylsulfonyl)-6H-isoquino[2,1-g][1,6]naphthyridine;
(8ar,12as,13as)-5,8,8a,9,10,11,12,12a,13,13a-Decahydro-3-Methoxy-12-(Ethylsulfonyl)-6h-Isoquino[2,1-G][1,6]Naphthyridine Hydrochloride;
(8aR,12aS,13aS)-5,8,8a,9,10,11,12,12a,13,13a-Dechydro-3-methoxy-12-(ethylsulfonyl)-6H-isoquino[2;
Zinc03995777;
(8aR,12aS,13aS)-5,8,8a,9,10,11,12,12a,13,13a-dechydro-3-methoxy-12-(ethylsulfonyl)-6H-isoquino[2,1-g][1,6]naphthyridinehydrochloride
- CAS No.:
- 158854-42-3
- 分 子 式:
- C19H29N2O3SCl
- 分 子 量:
- 400.97
- 精确分子量:
- 400.15900
- PSA:
- 58.23000
- 分子结构式:
-

- SDS:
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RS 79948盐酸盐 物化性质
- 沸点:
- 517.8ºC at 760mmHg
- 闪点:
- 266.9ºC
- 蒸汽压:
- 7.94E-11mmHg at 25°C
RS 79948盐酸盐 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):2.4
2.氢键供体数量:1
3.氢键受体数量:4
4.可旋转化学键数量:3
5.互变异构体数量:无
6.拓扑分子极性表面积59.4
7.重原子数量:25
8.表面电荷:1
9.复杂度:576
10.同位素原子数量:0
11.确定原子立构中心数量:3
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