Sodium tauroglycocholate - ≥98% , CAS No.41945-48-6

CAS: 41945-48-6 Cat. No.: S140488 Molecular Weight: 594.74 PubChem CID: 23684570

GRADE & PURITY ≥98%

Synonyms

Sodium N-(N-choloylglycyl)taurinate | AKOS024462601 | Sodium,2-[[2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,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]ethane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Sodium N-(N-choloylglycyl)taurinate | AKOS024462601 | Sodium, 2-[[2-[[(4R)-4-[(3R, 5S, 7R, 10S, 12S, 13R, 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]ethane

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200522
• Canonical Smiles: CC(CCC(=O)NCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
• IUPAC Name: sodium;2-[[2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,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]ethanesulfonate
• InChIKey: PUODKHBECQMSKY-FQKBTHBQSA-M
• 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
• Isomeric SMILES: C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)[O-])[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+]
• PubChem CID: 23684570
• Molecular Weight: 594.74