Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3alpha,5beta,7alpha)-

Base Information

• Chemical Name: Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3alpha,5beta,7alpha)-
• CAS No.: 2646-38-0
• Molecular Formula: C24H40 O4 . Na
• Molecular Weight: 414.561
• Hs Code.: 29181990
• European Community (EC) Number: 627-685-4
• Mol file: 2646-38-0.mol

Synonyms:Acid, Chenic;Acid, Chenique;Acid, Chenodeoxycholic;Acid, Gallodesoxycholic;Chenic Acid;Chenique Acid;Chenix;Chenodeoxycholate;Chenodeoxycholate, Sodium;Chenodeoxycholic Acid;Chenodiol;Chenofalk;Chenophalk;Gallodesoxycholic Acid;Henohol;Quenobilan;Quenocol;Sodium Chenodeoxycholate

Chemical Property of Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3alpha,5beta,7alpha)-

Chemical Property:

• Vapor Pressure: 2.98E-14mmHg at 25°C
• Melting Point: 298 °C(dec.)
• Boiling Point: 547.1°Cat760mmHg
• Flash Point: 298.8°C
• PSA: 80.59000
• Density: g/cm³
• LogP: 3.14320
• Storage Temp.: +15C to +30C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 415.28242903
• Heavy Atom Count: 29
• Complexity: 605

Purity/Quality:

99% ^*data from raw suppliers

ChenodeoxycholicAcidSodiumSalt ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na]
• Isomeric SMILES: C[C@H](CCC(=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.[Na]
• Recent ClinicalTrials: Cheno Effect on Transit in Health and IBS-C
• Uses: CHENODEOXYCHOLIC ACID SODIUM is a bile acid used in rat hepatocyte studies Chenodeoxycholic Acid, Sodium Salt is a bile acid used in rat hepatocyte studies. It can be used in biological study of interaction between dietary bioactive peptides of short length and bile salts in submicellar or micellar state.

Technology Process of Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3alpha,5beta,7alpha)-

There total 3 articles about Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3alpha,5beta,7alpha)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

chenodeoxycholic acid (474-25-9) → sodium chenodeoxycholate (2646-38-0)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; for 1h;

DOI:10.1016/j.ejmech.2012.03.020

Reference yield:

sodium hydroxide (1310-73-2) + swine bile → sodium chenodeoxycholate (2646-38-0) + 3α,6α,7α-trihydroxy-5β-cholan-24-oic acid (64898-86-8) + sodium 3α,6α-dihydroxy-5β-cholan-24-oate (10421-49-5)

Guidance literature:

swine bile; With sodium hydroxide; for 20h; Heating / reflux;

With dihydrogen peroxide; In ethyl acetate; at 70 ℃;

sodium hydroxide; With hydrogenchloride; water; more than 3 stages;

Reference yield:

ursodeoxycholic acid (128-13-2) → 3,7-dihydroxycholan-24-oic acid, monosodium salt (2646-38-0,2898-95-5,31687-63-5,31687-65-7,108609-27-4)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; for 1h;

DOI:10.1016/j.ejmech.2012.03.020

upstream raw materials:

sodium hydroxide

chenodeoxycholic acid

ursodeoxycholic acid

Downstream raw materials:

3-keto-7β-hydroxy-5β-cholan-24-oic acid

3β,7β-dihydroxy-5β-cholan-24-oic acid

3β,7α-dihydroxy-5β-cholan-24-oic acid

chenodeoxycholic acid

Refernces

• 1、 Gomez-Mendoza, Miguel,Marin, M. Luisa,Miranda, Miguel A.. "Dansyl-labeled cholic acid as a tool to build speciation diagrams for the aggregation of bile acids". . p. 14776 - 14780. Retrieved 2013/02/23.