Products 516-35-8

CAS 516-35-8 appears in our catalog under these names: Taurochenodeoxycholic acid, 95%, Taurochenodeoxycholic Acid, Taurochenodeoxycholic Acid/ 99.69% (existing batch purity), Taurochenodeoxycholic acid 98%, 3α,7α-Dihydroxy-N-(2-sulfoethyl)-5β-cholan-24-amide, 98%, 98%. Offered by: Combi-blocks, Chemat Brand, TargetMol, Biosynth, Ambeed. Available pack sizes: 100mg, 1g, 250mg, on request, 25mg, 50mg, 200mg, 500mg.

Structural formula: {0} (CAS {1})

Taurochenodeoxycholic acid is a bile acid taurine conjugate of chenodeoxycholic acid. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a chenodeoxycholic acid. It is a conjugate acid of a taurochenodeoxycholate.

Source: ChEBI

Identity
Molecular formulaC26H45NO6S
Molecular weight499.7 g/mol
IUPAC name2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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]ethanesulfonic acid
InChIKeyBHTRKEVKTKCXOH-BJLOMENOSA-N
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)