1280210-80-1 (2-(甲基磺酰基)-2,4,5,6-四氢吡咯并[3,4-c]吡唑 苯磺酸盐,2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate)

CAS号:
1280210-80-1
中文名称:
2-(甲基磺酰基)-2,4,5,6-四氢吡咯并[3,4-c]吡唑 苯磺酸盐
英文名称:
2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate
分子式:
C12H15N3O5S2
分子量:
345.394600152969

2-(甲基磺酰基)-2,4,5,6-四氢吡咯并[3,4-c]吡唑 苯磺酸盐(1280210-80-1)名称与标识符

名称

中文别名:
2-(甲基磺酰基)-2,4,5,6-四氢吡咯并[3,4-c]吡唑 苯磺酸盐;2,4,5,6-四氢-2-(甲基磺酰基)吡咯并(3,4-c)吡唑苯磺酸盐;2,4,5,6-四氢-2-(甲基磺酰基)吡咯并[3,4-c]吡唑苯磺酸盐;MK-3102中间体3;奥格列汀中间体;亚精胺;MK3102中间体3;Pyrrolo[3,4-c]pyrazole, 2,4,5,6-tetrahydro-2-(methylsulfonyl)-, benzenesulfonate (1:1);2,4,5,6-四氢-2-(甲基磺酰基)吡咯并[3,4-C]吡唑苯磺酸盐(奥格列汀 中间体);
英文别名:
2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate;1-Piperidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-, phenylmethyl ester, (3R)-;2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo-[3,4-c]pyrazole benzenesulfonate;Pyrrolo[3,​4-​c]​pyrazole, 2,​4,​5,​6-​tetrahydro-​2-​(methylsulfonyl)​-​, benzenesulfonate (1:1);MK3102 Intermediate2;Omarigliptin;Pyrrolo[3,​4-​c]​pyrazole, 2,​4,​5,​6-​tetrahydro-​2-​(methylsulfonyl)​-​,benzenesulfonate;Pyrrolo[3,4-c]pyrazole, 2,4,5,6-tetrahydro-2-(methylsulfonyl)-, benzenesulfonate (1:1);2-(methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-5-ium benzenesulfonate;AMBZ0101;PKMDOTHXIGJTKH-UHFFFAOYSA-N;BCP09769;SB17815;AM85543;SY237912;AK174061;Pyrrolo[3,4-c]pyr;Pyrrolo[3,4-c]pyrazole, 2,4,5,6-tetrahydro-2-(methylsulfonyl)-, benzenesulfonate;

标识符

MDL:
MFCD28144046
InChIKey:
PKMDOTHXIGJTKH-UHFFFAOYSA-N
Inchi:
1S/C6H9N3O2S.C6H6O3S/c1-12(10,11)9-4-5-2-7-3-6(5)8-9;7-10(8,9)6-4-2-1-3-5-6/h4,7H,2-3H2,1H3;1-5H,(H,7,8,9)
SMILES:
S(C)(N1C=C2CNCC2=N1)(=O)=O.S(C1C=CC=CC=1)(=O)(=O)O

2-(甲基磺酰基)-2,4,5,6-四氢吡咯并[3,4-c]吡唑 苯磺酸盐(1280210-80-1)物化性质

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 2
  • 重原子数量 : 22
  • 复杂度 : 455
  • 拓扑分子极性表面积 : 135

2-(甲基磺酰基)-2,4,5,6-四氢吡咯并[3,4-c]吡唑 苯磺酸盐(1280210-80-1)安全信息

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