| CAS Number | 64936-83-0 |
| Catalog Number | AG00EF13(AGN-PC-0TEIGD) |
| Chemical Name | 3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE 3-SULFATE DISODIUM SALT |
| IUPAC Name | disodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate |
| InChI | InChI=1S/C26H45NO8S2.2Na/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3;;/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/t17-,18-,19-,20+,21-,22+,23+,25+,26-;;/m1../s1 |
| InChI Key | YHTVOGLKSGJIDL-RLHFEMFKSA-L |
| MDL Number | MFCD00055891 |
| Molecular Formula | C26H43NNa2O8S2 |
| Molecular Weight | 607.7311 |
| SMILES | O=C(NCCS([O-])(=O)=O)CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](OS([O-])(=O)=O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C.[Na+].[Na+] |
| Synonyms | 64936-83-0,
Taurolithocholic Acid Sulfate Disodium Salt,
3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE 3-SULFATE DISODIUM SALT,
Taurolithocholic acid 3-sulfate disodium salt,
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