Basic Information |
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Product Name: | SODIUM DEHYDROCHOLATE |
CAS: | 81-23-2 ;145-41-5 |
English Synonyms: | DEHYDROCHLORIC ACID, NA SALT ; SODIUM DEHYDROCHOLATE ; BILIRON ; 5BETA-CHOLANIC ACID-3,7,12-TRIONE SODIUM SALT ; 5BETA-CHOLANIC ACID-3,7,12-TRIONE SODIUM ; CARACHOL ; 3,7,12-TRIOXO-5BETA-CHOLANIC ACID SODIUM SALT ; SODIUM DEOXYCHOLATE MONOHYDRATE ; DEHYDROCHOLIC ACID SODIUM SALT |
MDL Number.: | MFCD00066411 |
H bond acceptor: | 5 |
H bond donor: | 0 |
Smile: | C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C.[Na+] |
InChi: | InChI=1S/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1 |
InChiKey: | InChIKey=FKJIJBSJQSMPTI-CAOXKPNISA-M |
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