Sodium (3alpha,5beta,6alpha)-3,6-dihydroxycholan-24-oate

Basic Information

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CAS Number

10421-49-5

Molecular Formula

C24H39NaO4

Molecular Weight

414.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

292-297°C

Boiling Point

547.1°C at 760 mmHg

Water Solubility

Sparingly soluble in water.(0.26 g/L) (25°C),

Refractive Index

3.5 ° (C=2, H2O)

Specific Rotation

+3.5 ° (C=2, H2O)

SMILES

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CC(CCC(=O)[O-])C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C.[Na+]

InChI

InChI=1S/C24H40O4.Na/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-;/m1./s1

InChIKey

DUYSCILLIVEITB-ADQIWYCWSA-M

LogP

3.14320

Complexity

612

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

sodium;(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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]pentanoate
AKOS016009391
Sodium hyodeoxycholate
CHOLAN-24-OIC ACID, 3,6-DIHYDROXY-, SODIUM SALT (1:1), (3.ALPHA.,5.BETA.,6.ALPHA.)-
10421-49-5
HY-N0169A
MFCD00079342
H0870
CS-0063463
UNII-HBY71R8HO2
Cholan-24-oic acid, 3,6-dihydroxy-, monosodium salt, (3a,5b,6a)-
Hyodeoxycholic Acid Sodium Salt
5beta-Cholan-24-oic acid, 3alpha,6alpha-dihydroxy-, monosodium salt
Sodium hyodesoxycholate
3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic Acid Sodium Salt
SCHEMBL16612328
Cholan-24-oic acid, 3,6-dihydroxy-, monosodium salt, (3alpha,5beta,6alpha)-
Hyodeoxycholic acid (sodium)
AS-60591
HBY71R8HO2
D95366
HYODEOXYCHOLIC ACID SODIUM SALT
Sodium Hyodeoxycholate
3α,6α-Dihydroxy-5β-cholan-24-oic Acid Sodium Salt
hyodeoxycholic acid sodium
Extracts from the lock Yang
Cynomorium songaricum Rupr.
Cynomorium songaricum extract
Songaria Cynomorium Herb Extract
(3a,6a)-3,6-Dihydroxycholan-24-oic acid
Sodium 3α,6α-dihydroxy-5β-cholan-24-oate

MDL Number

MFCD00079342

FAQ

What regulatory guidelines apply to Sodium (3alpha,5beta,6alpha)-3,6-dihydroxycholan-24-oate (CAS: 10421-49-5)?

Sodium (3alpha,5beta,6alpha)-3,6-dihydroxycholan-24-oate (CAS: 10421-49-5) is subject to the European Union's REACH regulations, which require manufacturers and importers to register the substance with the European Chemicals Agency. Additionally, it is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and may be regulated by the EPA in the United States and FDA for pharmaceutical applications, with specific handling and reporting requirements.

Are there alternatives to Sodium (3alpha,5beta,6alpha)-3,6-dihydroxycholan-24-oate (CAS: 10421-49-5) in synthesis?

In the synthesis of related bile acids, there are alternative reagents and synthetic routes that can be used, such as ursodeoxycholic acid or cholic acid. These compounds serve as effective precursors for synthesizing analogs through traditional methods like condensation reactions and enzymatic transformations, providing flexibility in the design of new compounds.

What is the market or research trend for Sodium (3alpha,5beta,6alpha)-3,6-dihydroxycholan-24-oate (CAS: 10421-49-5)?

The market for Sodium (3alpha,5beta,6alpha)-3,6-dihydroxycholan-24-oate (CAS: 10421-49-5) is driven by its applications in pharmaceuticals and research, particularly in the development of bile acid-related drugs. Recent research trends focus on understanding its pharmacological properties and exploring its potential in treating liver diseases and metabolic disorders. Prices fluctuate based on supply and demand, with increasing interest in its use as a functional food ingredient and in cosmeceuticals.

How should waste containing Sodium (3alpha,5beta,6alpha)-3,6-dihydroxycholan-24-oate (CAS: 10421-49-5) be handled?

Waste containing Sodium (3alpha,5beta,6alpha)-3,6-dihydroxycholan-24-oate (CAS: 10421-49-5) should be collected in sealed containers and disposed of through professional waste disposal services. Incineration is a common method for disposal, ensuring complete destruction of the substance. Environmental protection measures include minimizing the risk of contamination during handling and disposal, adhering to local and international environmental regulations, and utilizing safe transport methods to prevent spills or leaks.