(3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid

Basic Information

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CAS Number

83-44-3

Molecular Formula

C24H40O4

Molecular Weight

392.58 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

171-174 °C

Boiling Point

437.26°C (rough estimate)

Density

0.9985 (rough estimate)

Water Solubility

0.24 g/L (15 ºC)

Flash Point

9℃

Solubility

0.24 g/L (15°C)

Refractive Index

1.4460 (estimate)

Vapor Pressure

0.0±3.3 mmHg at 25°C

Specific Rotation

55 º (c=1, EtOH)

SMILES

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

InChI

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

InChIKey

KXGVEGMKQFWNSR-LLQZFEROSA-N

LogP

4.477900000000005

pKa

5.15(at 20℃)

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

605

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 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

Storage Conditions

2-8℃

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Sensitiveness

Sensitive to humidity

Synonyms & References

English

Deoxycholic acid
3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oic acid
ABAMACHEM ABA-7205211
Cholan-24-oic acid,3,12-dihydroxy-, (3a,5b,12a)-
DEOXYCHOLIC ACID (P)
DEOXYCHOLIC ACID(CHOLEIC ACID)(RG)
Hyodeoxycholic acid
(3α,5β,12α)-3,12-Dihydroxy-5-cholan-24-oic acid
17β-(1-Methyl-3-carboxypropyl)etiocholane-3α,12α-diol
5β-Cholan-24-oic acid-3α,12α-diol
Cholanoic Acid
Choleic acid
Desoxycholic acid
3α,12α-Dihydroxy-5β-cholanic acid
7-Deoxycholic acid
(3alpha,5beta,12alpha)-3,12-Dihydroxy-cholan-24-oic acid
Ursodeoxycholic acid EP Impurity E
deoxycholate
Cholorebic
Cholerebic
Degalol
Deoxycholatic acid
Pyrochol
Septochol
Droxolan
Desoxycholsaeure
7alpha-Deoxycholic acid
Cholic acid, deoxy-
Dihydroxycholanoic acid
3,12-Dihydroxycholanic acid
Deoxy cholic acid

MDL Number

MFCD00003673

FAQ

What is (3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid (CAS: 83-44-3)?

(3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid, with the CAS number 83-44-3, is a bile acid derivative. It has the chemical formula C24H42O5 and is known for its hydrophilic properties. This compound is commonly used in scientific research and pharmaceutical applications due to its structural similarity to natural bile acids such as cholic acid.

What are the main uses of (3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid (CAS: 83-44-3)?

(3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid (CAS: 83-44-3) is primarily used in pharmaceutical research for studying bile acid metabolism and its role in liver diseases. It also serves as a precursor in the synthesis of certain drugs and is utilized in biochemical assays and analytical chemistry for its unique structural properties.

Is (3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid (CAS: 83-44-3) safe?

The safety of (3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid (CAS: 83-44-3) largely depends on its handling and application. It is generally considered safe when used under controlled laboratory conditions. However, direct contact with skin or eyes should be avoided, and appropriate personal protective equipment (PPE) is recommended. Safety data sheets (SDS) should be consulted for specific guidelines.

How should (3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid (CAS: 83-44-3) be stored?

(3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid (CAS: 83-44-3) should be stored in a cool, dry, and dark place, away from moisture and light. It is typically kept in airtight containers to maintain stability. Storage at temperatures below 25°C is recommended to prevent degradation and ensure product integrity.