Lithocholic acid

Basic Information

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CAS Number

434-13-9

Molecular Formula

C24H40O3

Molecular Weight

376.58 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

Physical State

Powder

Melting Point

183-188 °C

Boiling Point

511℃/760mmHg

Flash Point

9℃

Solubility

Insuluble (1.5E-4 g/L) (25 ºC),

Refractive Index

35.5 ° (C=1, EtOH)

Specific Rotation

34 °(c=1.5,C2H5OH)

SMILES

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C[C@H](CCC(O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C

InChI

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

InChIKey

SMEROWZSTRWXGI-HVATVPOCSA-N

LogP

5.507100000000006

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

574

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Storage Conditions

2-8℃

Synonyms & References

English

LITHOCHOLIC ACID
3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID 3ALPHA-HYDROXY-5BETA-CHOLANIC ACID 3ALPHA-HYDROXYCHOLANIC ACID 3-HYDROXYCHOLANIC ACID 5BETA-CHOLAN-24-OIC ACID-3ALPHA-OL 5BETA-CHOLAN-24-OIC ACID-3A-OL 5BETA-CHOLANIC ACID-3ALPHA-OL BETA-CHOLANIC ACID-3-ALPHA-OL HYDROYCHOLANIC ACID
Lithocholic aCld
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
3α-Hydroxy-5β-cholanic acid
LITHOCHOLIC ACID(RG)
Lithocolic acid
17β-(1-Methyl-3-car-boxypropyl) etiocholan-3α-ol
3α-Hydroxy cholanic acid
5β-Cholanic Acid-3α-ol
17-beta-(1-methyl-3-carboxypropyl)ethiocholan-3-alpha-ol
17beta-(1-methyl-3-carboxypropyl)etiocholan-3alpha-ol
3-alpha-hydroxy-5-beta-cholanic acid
3-alpha-hydroxycholanic acid
3-hydroxycholan-24-oic acid
3alpha-hydroxy-5beta-cholan-24-oic acid
Ursodeoxycholic acid EP Impurity C
Lithocholate
3alpha-Hydroxy-5beta-cholanic acid
3alpha-Hydroxycholanic acid
5beta-Cholanic acid-3alpha-ol
3alpha-Hydroxy-5beta-cholanoic acid
3alpha-Hydroxy-5beta-cholanate
5-beta-Cholanic acid, 3-alpha-hydroxy-
3α-Hydroxy-5β-cholanic Acid
3alpha-Hydroxy-5beta-cholan-24-oic acid
Lithocholic acid
3-Hydroxycholan-24-oic acid,3α-Hydroxy-5β-cholan-24-oate,3α-Hydroxy-5β-cholan-24-oic acid,3α-Hydroxy...
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

MDL Number

MFCD00003682

Customs Code

29181998

FAQ

What is Lithocholic acid (CAS: 434-13-9)?

Lithocholic acid, with the CAS number 434-13-9, is a secondary bile acid found in the bile of some animals. It has the chemical formula C24H40O4 and is characterized by its hydrophobic properties and ability to act as a detergent in the digestive system. This compound is also known for its potential biological activities, including anti-inflammatory and anticancer properties.

What are the main uses of Lithocholic acid (CAS: 434-13-9)?

Lithocholic acid is primarily used in pharmaceutical research for its potential therapeutic applications, such as in the development of drugs targeting liver diseases and cancer. It is also utilized in biochemical studies to investigate bile acid metabolism and in some industrial applications for its surfactant properties. Additionally, it serves as a research tool in studying the effects of bile acids on cellular processes.

Is Lithocholic acid (CAS: 434-13-9) safe?

Lithocholic acid is generally considered safe when used in controlled research settings. However, it may have toxic effects if ingested in high concentrations or exposed to skin and eyes. Proper handling, including the use of personal protective equipment, is recommended to ensure safety. Safety standards for handling this compound are typically outlined in laboratory guidelines and chemical safety data sheets.

How should Lithocholic acid (CAS: 434-13-9) be stored?

Lithocholic acid should be stored in a cool, dry place away from light. It is best kept in a sealed container at a temperature below 25°C and in a humidity-controlled environment to maintain stability. Avoid exposure to air and moisture to prevent degradation. Proper storage is essential to ensure the compound remains effective and safe for use.