7-Ketolithocholic acid

Basic Information

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CAS Number

4651-67-6

Molecular Formula

C24H38O4

Molecular Weight

390.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

200.0 to 206.0 deg-C

Boiling Point

545.9±25.0°C at 760 mmHg

Solubility

Insuluble (5.1E-3 g/L) (25 ºC),

SMILES

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

InChI

InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1

InChIKey

DXOCDBGWDZAYRQ-AURDAFMXSA-N

LogP

4.686100000000005

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

645

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

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

Synonyms & References

English

3a-Hydroxy-7-oxo-5b-cholanic acid
ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID
alpha-Hydroxy-7-oxo-5beta-cholic acid
7-KETOLITHOCHOLIC ACID
3ALPHA-HYDROXY-7-KETO-5BETA-CHOLANIC ACID
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID
5-BETA-CHOLANIC ACID-3-ALPHA-OL-7-ONE
3alpha-Hydroxy-7-oxo-5?cholanic acid
3-alpha-hydroxy-7-oxo-5-beta-cholan-24-oic acid
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
3alpha-Hydroxy-7-oxo-5beta-cholic acid
Nutriacholic Acid
3α-Hydroxy-7-keto-5β-cholanic Acid
3α-Hydroxy-7-oxo-5β-cholanic Acid
7-Oxolithocholic acid
7-keto-Lithocholic acid
NSC 226118
Ursodeoxycholic acid EP Impurity F
Nutriacholic acid

MDL Number

MFCD00271393

Customs Code

2918990090

FAQ

What is 7-Ketolithocholic acid (CAS: 4651-67-6)?

7-Ketolithocholic acid (CAS: 4651-67-6) is a secondary bile acid derivative found in bile. It has the chemical formula C24H44O4 and is characterized by its hydrophobic properties and role in lipid metabolism. This compound is often studied in biochemical research for its potential biological activities and interactions with other bile acids.

What are the main uses of 7-Ketolithocholic acid (CAS: 4651-67-6)?

7-Ketolithocholic acid (CAS: 4651-67-6) is primarily used in pharmaceutical research for its potential therapeutic applications, including bile acid sequestrants and lipid-lowering agents. It is also utilized in biochemical studies to understand hepatic function and metabolic pathways. Its use in food and industrial sectors is limited due to its specialized nature.

Is 7-Ketolithocholic acid (CAS: 4651-67-6) safe?

7-Ketolithocholic acid (CAS: 4651-67-6) is generally considered safe when handled properly in controlled environments. However, it should be treated with care as it may have irritant properties. Safety guidelines recommend using appropriate personal protective equipment and following standard laboratory safety protocols to minimize exposure and ensure safe handling.

How should 7-Ketolithocholic acid (CAS: 4651-67-6) be stored?

7-Ketolithocholic acid (CAS: 4651-67-6) should be stored in a cool, dry place away from light. It is best kept in a sealed, airtight container at a temperature below 25°C and humidity levels below 60%. Proper storage ensures stability and prevents degradation of the compound over time.