溴三氟甲烷(64936-83-0)名称与标识符
名称
中文别名:
牛磺石胆酸-3-硫酸酯二钠盐;牛磺石胆酸硫酸盐二钠盐;牛磺石胆酸钠-3-硫酸酯二钠盐;溴三氟甲烷;牛磺石胆酸-3-硫酸酯钠;
英文别名:
Ethanesulfonic acid,2-[[(3a,5b)-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-, sodium salt(1:2);Taurolithocholic Acid Sulfate Disodium Salt;3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE 3-SULFATE DISODIUM SALT;Taurolithocholic Aci;TAUROLITHOCHOLIC ACID SULFATE;TAUROLITHOCHOLIC ACID 3-SULFATE DISODIUM SALT;taurolithocholic acid 3-sulfate*disodium;C26H43NNa2O8S2;G76961;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;PD017289;64936-83-0;
标识符
InChIKey:
YHTVOGLKSGJIDL-RLHFEMFKSA-L
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
SMILES:
S(=O)(=O)([O-])O[C@@H]1CC[C@@]2(C)[C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(NCCS(=O)(=O)[O-])=O)CC[C@H]21.[Na+].[Na+]