Basic Information |
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| Product Name: | COTININE N-BETA-D-GLUCURONIDE |
| CAS: | 139427-57-9 |
| English Synonyms: | 1-BETA-D-GLUCOPYRANURONOSYL-3-[(2S)-1-METHYL-5-OXO-2-PYRROLIDINYL]PYRIDINIUM INNER SALT ; COTININE-N-GLUCURONIDE ; COTININE-N-B-D-GLUCURONIDE ; COTININE N-BETA-D-GLUCURONIDE ; COTININE BETA-D-GLUCURONIDE |
| MDL Number.: | MFCD02683301 |
| H bond acceptor: | 10 |
| H bond donor: | 3 |
| Smile: | CN1C[C@@H](CC1=O)c2ccc[n+](c2)O[C@H]3[C@@H]([C@H]([C@@H](C(O3)C(=O)[O-])O)O)O |
| InChi: | InChI=1S/C16H20N2O8/c1-17-6-9(5-10(17)19)8-3-2-4-18(7-8)26-16-13(22)11(20)12(21)14(25-16)15(23)24/h2-4,7,9,11-14,16,20-22H,5-6H2,1H3/t9-,11+,12+,13-,14?,16+/m1/s1 |
| InChiKey: | InChIKey=JUAUIZHHFGGUIU-JCGRWGQRSA-N |
Property |
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Safety information |
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