| Catalog Number |
ACM2410279933 |
| CAS |
2410279-93-3 |
| Synonyms |
2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]amino]-ethanesulfonicacid,monosodiumsalt |
| IUPAC Name |
sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-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 |
541.71 |
| Molecular Formula |
C26H40D4NaNO7S |
| InChI |
InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1/i8D2,12D2; |
| InChI Key |
JAJWGJBVLPIOOH-QPNQQDKZSA-M |
| Purity |
98% |
| Appearance |
White solid |
| Accurate Mass |
541.3 |
| Hygroscopic |
No |
| Isomeric SMILES |
[2H]C1(C[C@@]2([C@H]3C[C@@H]([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)O)C)[2H].[Na+] |
| Isotopic Enrichment |
98 atom % D |
| Light Sensitive |
No |
| Stability |
Stable if stored under recommended conditions. |
| Storage Conditions |
-20 °C |
| Unlabeled CAS |
145-42-6 |
| Unlabeled Synonyms |
3alpha,7Beta-Dihydroxy-5Beta-cholan-24-oic acid N-(2sulfoethyl)amide; Tauroursodeoxycholic acid sodium salt |
