| Catalog Number |
ACM2410279820 |
| CAS |
2410279-82-0 |
| Synonyms |
2-[[(3alpha,5beta,12alpha)-3,12-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]amino]-ethanesulfonic acid, monosodium salt; 5ß-cholanic (2,2,4,4-d4) acid-3α,12α-diol n-(2-sulphoethyl)-amide, sodium salt |
| IUPAC Name |
sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-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 |
C26D4H40NNaO6S |
| 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/i10D2,14D2; |
| InChI Key |
YXHRQQJFKOHLAP-YPYHFUETSA-M |
| Melting Point |
205 °C |
| Purity |
98% |
| Appearance |
White solid |
| Accurate Mass |
525.3 |
| Hygroscopic |
No |
| Isomeric SMILES |
[2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)[O-])C)O)C([C@@H]1O)([2H])[2H])C)[2H].[Na+] |
| Isotopic Enrichment |
98 atom % D |
| Light Sensitive |
No |
| Stability |
Stable if stored under recommended conditions. |
| Storage Conditions |
-20 °C |
| Unlabeled CAS |
1180-95-6 |
