Sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate

Basic Information

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CAS Number

302-95-4

Molecular Formula

C24H39NaO4

Molecular Weight

414.55 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

357-365 ºC

Density

1.1280

Water Solubility

330 g/L (15 ºC)

Solubility

water: soluble1 gm in 10 ml, clear, colorless to very faintly yellow

Specific Rotation

44 º (c=2, H2O)

SMILES

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O[C@@H]1CC[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC([O-])=O)CC[C@@]4([H])[C@]3([H])CC[C@@]([H])2C1.[Na+]

InChI

InChI=1S/C24H40O4.Na/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);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1

InChIKey

FHHPUSMSKHSNKW-SMOYURAASA-M

LogP

3.14320

Safety Information

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GHS Hazard Pictograms

H302

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Storage Conditions

2-8℃

Sensitiveness

易吸潮

Synonyms & References

English

Sodium deoxycholate
OXIDE EXTRACT
SODIUM CHOLEATE
SODIUM DESOXYCHOLATE
CHOLEIC ACID SODIUM SALT
DESOXYCHOLIC ACID SODIUM SALT
DEOXYCHOLIC ACID NA-SALT
DEOXYCHOLIC ACID SODIUM SALT
Sodium Deoxycholate [for Electrophoresis]
SODIUM DEOXYCHOLATE, FOR MICROBIOLOGY
3α,12α -Dihydroxy-5β-cholanic acid sodiuM salt
deoxycholatesodium
Deoxycholic acid
desoxycholatesodium
na-desoxycholat
SodiuM 3,12-dihydroxycholanate
sodium7-deoxycholate
SODIUMDISOXYCHOLATE
3a,12a-Dihydroxy-5b-cholan-24-oic acid sodium salt
Deoxycholic acid sodium salt
Deoxycholic acid monosodium salt,Deoxycholic acid sodium salt,Desoxycholate sodium,Desoxycholic acid...

MDL Number

MFCD00064139

Customs Code

29181930

FAQ

What is Sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate (CAS: 302-95-4)?

Sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate (CAS: 302-95-4) is a bile acid derivative, specifically a sodium salt of cholic acid. It has the chemical formula C24H42NaO5 and is characterized by hydroxyl groups at positions 3, 12, and 24. This compound is known for its solubility in water and its role in pharmaceutical and research applications.

What are the main uses of Sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate (CAS: 302-95-4)?

Sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate (CAS: 302-95-4) is primarily used in pharmaceutical research for studying bile acid metabolism and as a precursor in drug development. It also serves in biochemical assays and may be employed in industrial applications related to organic synthesis. Its unique structure makes it valuable in scientific investigations involving lipid-based compounds.

Is Sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate (CAS: 302-95-4) safe?

Sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate (CAS: 302-95-4) should be handled with care. While it is not classified as highly toxic, it may cause skin or eye irritation. Safety precautions include wearing protective gloves, goggles, and clothing. Proper storage is essential to maintain stability and prevent accidental exposure.

How should Sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate (CAS: 302-95-4) be stored?

Sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate (CAS: 302-95-4) should be stored in a cool, dry place, away from light and moisture. It is best kept in a sealed, airtight container to ensure stability. Avoid exposure to high temperatures and humidity to prevent degradation. Always store in a well-ventilated area for safety.