Sodium taurodeoxylate
Catalog Number | BL-M000517 |
CAS Number | 1180-95-6 |
Description | Sodium taurodeoxylate is a natural compound from Animal biles. |
IUPAC Name | sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate |
Synonyms | 5beta-cholanic acid-3alpha,12alpha-diol N-(2-sulphoethyl)-amide, sodium salt; Taurodeoxycholic Acid Sodium Salt; Taurodeoxycholate (Sodium Salt) |
Molecular Weight | 521.68 |
Molecular Formula | C26H44NNaO6S |
Melting Point | 168 °C (dec.)(lit.) |
Purity | >99% |
Appearance | White Crystal Powder |
Storage | Store at -20°C |
Percent Composition | C 59.86%, H 8.50%, N 2.68%, Na 4.41%, O 18.4%, S 6.15% |
Canonical SMILES | CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+] |
InChI | InChI=1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1 |
InChI Key | YXHRQQJFKOHLAP-FVCKGWAHSA-M |
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