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替占帕奈 | 154652-83-2

替占帕奈结构式图片|154652-83-2结构式图片
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
127894
替占帕奈价格
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
- 中文别名 -
  • 替占帕奈
- 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
专业数据库参考
PubChemId 127894
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