basic_info |
|
| Product_Name： | SITAGLIPTIN N-SULFATE |
| CAS： | 940002-57-3 |
| EnglishSynonyms： | SITAGLIPTIN N-SULFATE |
| pro_mdlNumber： | MFCD11977926 |
| pro_acceptors： | 9 |
| pro_donors： | 2 |
| pro_smile： | c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)NS(=O)(=O)O |
| InChi： | InChI=1S/C16H15F6N5O4S/c17-10-6-12(19)11(18)4-8(10)3-9(25-32(29,30)31)5-14(28)26-1-2-27-13(7-26)23-24-15(27)16(20,21)22/h4,6,9,25H,1-3,5,7H2,(H,29,30,31)/t9-/m1/s1 |
| InChiKey： | InChIKey=AOWQKFDVSZMKPA-SECBINFHSA-N |
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