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| CAS No.: | 1260141-27-2 |
|---|---|
| Name: | TAK-438 |
| Molecular Structure: | |
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| Formula: | C17H16FN3O2S.C4H4O4 |
| Molecular Weight: | 461.46 |
| Synonyms: | 5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine 2-butenedioate; fumaric acid;1-[5-(2-Fluorophenyl)-1-(3-pyridylsulfonyl)pyrrol-3-yl]-N-methyl-methanamine; fumaric acid; |
| PSA: | 146.97000 |
| LogP: | 3.82910 |
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The TAK 438, with the CAS registry number 1260141-27-2, is also known as 5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine 2-butenedioate; fumaric acid. This chemical's molecular formula is C17H16FN3O2S.C4H4O4 and molecular weight is 461.46. What's more, its systematic name is 1-[5-(2-Fluorophenyl)-1-(3-pyridylsulfonyl)pyrrol-3-yl]-N-methyl-methanamine; fumaric acid.
You can still convert the following datas into molecular structure:
(1)SMILES: CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F.C(=C/C(=O)O)\C(=O)O
(2)Std. InChI: InChI=1S/C17H16FN3O2S.C4H4O4/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14;5-3(6)1-2-4(7)8/h2-9,11-12,19H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
(3)Std. InChIKey: ROGSHYHKHPCCJW-WLHGVMLRSA-N
