Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate（CAS番号：11006-55-6）

Sodium 2-({N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycyl}amino)ethanesulfonate

基本情報

編集器で閲覧

CAS番号

11006-55-6

分子式

C28H47N2NaO8S

分子量

595.74 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

精密化学品界面活性剤アニオン性界面活性剤

重合体およびプラスチック熱可塑性プラスチックポリオレフィン

基本的な物理特性

SMILES

編集器で閲覧

C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+]

InChI

InChI=1S/C28H48N2O8S.Na/c1-16(4-7-24(34)30-15-25(35)29-10-11-39(36,37)38)19-5-6-20-26-21(14-23(33)28(19,20)3)27(2)9-8-18(31)12-17(27)13-22(26)32;/h16-23,26,31-33H,4-15H2,1-3H3,(H,29,35)(H,30,34)(H,36,37,38);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22-,23+,26+,27+,28-;/m1./s1

InChIKey

PUODKHBECQMSKY-QRPKJZHMSA-M

LogP

3.00430

複雑度

1020

同義語と引用データ

英語

Tauroglycocholic acid sodium salt
SODIUM, (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-TRIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-PENTANOATE
SODIUM CHOLATE
SODIUM CHOLEATE
17-(1-Methyl-3-carboxypropyl)etiocholane-3
17-beta-(1-methyl-3-carboxypropyl)etiocholane-3alpha,7alpha,12alpha-triol
3,7,12-trihydroxy-,(3-alpha,5-beta,7-alpha,12-alpha)-cholan-24-oicaci
3,7,12-trihydroxy-,(3alpha,5beta,7alpha,12alpha)-cholan-24-oicaci
3,7,12-Trihydroxy-5-chloanicacid
SODIUM TAUROGLYCOCHOLATE
sodium,2-[[2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]a
2-[[2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetyl]amino]ethanesulfonic acid
EINECS 234-243-0
Ethanesulfonic acid,2-(((((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)acetyl)amino)-,monosodium salt
Tauroglycolic acid,sodium salt
cholic acid, sodium salt
cholic acid, monosodium salt
ds-na
sodium cholic acid
trihydroxy 3-7-12 cholanate de na
BileSaltCertified
tauroglycocholic acid
cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3-alpha,5-beta,7-al,12-alpha)-ph
3,7,12-trihydroxy-, monosodium salt, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-Cholan-24-oic acid
2-[[[[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]acetyl]amino]-ethanesulfonic acid monosodium salt
cholic acid sodium salt