| Catalog Number |
ACM2410279853 |
| CAS |
2410279-85-3 |
| Synonyms |
2-[[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]amino]-ethanesulfonicacid,monosodiumsalt |
| IUPAC Name |
sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-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 |
525.71 |
| Molecular Formula |
C26H40D4NNaO6S |
| InChI |
InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-;/m1./s1/i8D2,14D2; |
| InChI Key |
IYPNVUSIMGAJFC-SWZNJHJNSA-M |
| Purity |
97% |
| Appearance |
White to off-white solid |
| Isomeric SMILES |
[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)[O-])C)C)[2H].[Na+] |
| Isotopic Enrichment |
98 atom % D |
| Stability |
Stable if stored under recommended conditions. |
| Unlabeled CAS |
6009-98-9 |
| Unlabeled Synonyms |
2-([3α,7α-Dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid sodium salt; 3α,7αDihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide sodium salt |
