Basic Information |
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Product Name: | SODIUM TAUROCHOLATE DIHYDRATE |
CAS: | 345909-26-4 |
English Synonyms: | TAUROCHOLIC ACID SODIUM SALT HYDRATE > 95 % ; SODIUM TAUROCHOLATE DIHYDRATE |
MDL Number.: | MFCD00150132 |
H bond acceptor: | 8 |
H bond donor: | 4 |
Smile: | C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.O.[Na+] |
InChi: | InChI=1S/C26H45NO7S.Na.2H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;2*1H2/q;+1;;/p-1/t15-,16?,17-,18-,19+,20+,21-,22+,24+,25+,26-;;;/m1.../s1 |
InChiKey: | InChIKey=GYRLGILDCKQBJF-SSGBDSDUSA-M |
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