替占帕奈 | 154652-83-2
替占帕奈
3-Isoquinolinecarboxylicacid, decahydro-6-[2-(2H-tetrazol-5-yl)ethyl]-, (3S,4aR,6R,8aR)-
154652-83-2
C13H21N5O2
279.33814
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:替占帕奈结构式
名称和标识符
InChIKey |
ZXFRFPSZAKNPQQ-UHFFFAOYSA-N |
Inchi |
InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18) |
SMILES |
N1=C(CCC2CCC3C(CC(C(O)=O)NC3)C2)N=NN1 |
别名信息
- 英文别名 -
- 3-Isoquinolinecarboxylicacid, decahydro-6-[2-(2H-tetrazol-5-yl)ethyl]-, (3S,4aR,6R,8aR)-
- Tezampanel
- (-)(3S,4aR,6R,8aR)-6-(2-(1(2)H-tetrazole-5-yl)ethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid monohydrate
- (3S,4aR,6R,8aR)-6-[2-(1H-tetrazol-5-yl)-ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
- (3S,4aR,6R,8aR)-6-[2-(1H-tetrazol-5-yl)ethyl]decahydro-isoquinoline-3-carboxylic acid
- (3S,4aR,6R,8aR)-Decahydro-6-[2-(1H-tetrazol-5-yl)ethyl]-3-isoquinolinecarboxylic acid
- LY 293558
- NGX 424
- 3-Isoquinolinecarboxylic acid, decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-, (3S,4aR,6R,8aR)-
- Tezampanel (anhydrous)
- 154652-83-2
- GTPL4245
- ly215490
- LY 293558
- LY293558
- LY-293558
- CS-0821
- (3S,4aR,6R,8aR)-6-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-decahydroisoquinoline-3-carboxylic acid
- Decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-3-isoquinolinecarboxylic acid
- 3-Isoquinolinecarboxylic acid, decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-, (3S-(3alpha,4aalpha,6beta,8aalpha))-
- Tezampanel, anhydrous
- 150131-78-5
- LY293558
- LY-293,558
- GA36S2O9C2
- NS00069949
- AKOS040749636
- TEZAMPANEL ANHYDROUS
- (3S,4AS,6R,8AS)-6-(2-(1H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
- BDBM86751
- NGX-424
- (3S,4aR,6R,8aR)-6-(2-(1H-tetrazol-5-yl)ethyl)decahydroisoquinoline-3-carboxylic acid
- Ted-isoquinoline-3-cooh
- (3S,4aR,6R,8aR)-6-[2-(1H-1,2,3,4-tetrazol-5-yl)ethyl]-decahydroisoquinoline-3-carboxylic acid
- UNII-GA36S2O9C2
- Tezampanel [INN]
- BDBM50494341
- HY-75704
- 3-ISOQUINOLINECARBOXYLIC ACID, DECAHYDRO-6-(2-(1H-TETRAZOL-5-YL)ETHYL)-, (3S,4AS,6R,8AS)-
- NCGC00378884-01
- DB06354
- (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
- 6-(2-(1H-Tetrazol-5-yl)ethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
- 154652-83-2 (anhydrous)
- LY-293558
- Q7708612
- SCHEMBL1649338
- CHEMBL14935
- TEZAMPANEL
物化性质
实验特性
LogP |
0.94010 |
PSA |
103.79000 |
溶解度 |
Very 微溶 (0.7 g/L) (25 ºC), |
密度 |
1.252±0.06 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
279.17000 |
氢键供体数量 |
3 |
氢键受体数量 |
6 |
可旋转化学键数量 |
4 |
同位素质量 |
279.16952493g/mol |
重原子数量 |
20 |
复杂度 |
354 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
4 |
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) |
-0.8 |
拓扑分子极性表面积 |
104Ų |
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