| Catalog Number |
ACM2410279977 |
| CAS |
2410279-97-7 |
| Synonyms |
2-[[(3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl-2,2,4,4-d4]amino]-ethanesulfonic acid, monosodium salt |
| IUPAC Name |
sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate |
| Molecular Weight |
509.71 |
| Molecular Formula |
C26H40D4NNaO5S |
| InChI |
InChI=1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-;/m1./s1/i10D2,16D2; |
| InChI Key |
YAERYJYXPRIDTO-WRXPQEKCSA-M |
| Melting Point |
220-230 °C |
| Purity |
98% |
| Appearance |
White to off-white solid |
| Accurate Mass |
509.31 |
| Hygroscopic |
No |
| Isomeric SMILES |
[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C([C@@H]1O)([2H])[2H])CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)[O-])C)C)[2H].[Na+] |
| Isotopic Enrichment |
98 atom % D |
| Light Sensitive |
No |
| Stability |
Stable if stored under recommended conditions. |
| Storage Conditions |
-20 °C |
| Unlabeled CAS |
6042-32-6 |
| Unlabeled Synonyms |
Sodium taurolithocholate |
