Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate

Basic Information

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CAS Number

6042-32-6

Molecular Formula

C26H44NNaO5S

Molecular Weight

505.69 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

220-230 ºC

Solubility

Methanol (Slightly), Water (Slightly)

SMILES

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C[C@H](CCC(NCCS(=O)([O-])=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.[Na+]

InChI

InChI=1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-;/m1./s1

InChIKey

YAERYJYXPRIDTO-HRHHVWJRSA-M

LogP

5.55560

Complexity

832

Safety Information

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Hazard Statement

Synonyms & References

English

Ethanesulfonic acid,2-[[(3a,5b)-3-hydroxy-24-oxocholan-24-yl]amino]-, sodium salt(1:1)
5Beta-Cholanic Acid-3Alpha-ol 24-N-(2-Sulfoethyl)Amide Sodium
5B-CHOLANIC ACID-3A-OL24-N-(2-SULFOETHYL)AMIDE SODIUM
Taurolithocholic Aci
Taurolithocholic Acid SodiuM Salt
N-(3a-Hydroxy-5-cholan-24-oyl)taurine Monosodium Salt
sodium taurolithocholate
SODIUM TAUROLITHOCHOLATE SODIUM SALT
sodium taurolithocholic acid
TAUROLITHIOCHOLIC ACID SODIUM
taurolithocholic acid sodium
3α-Hydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide
NSC 681057
TAUROLITHOCHOLICACIDSODIUMSALT
2-(((3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid monosodium salt
Taurolithocholic acid sodium salt

MDL Number

MFCD00036746

FAQ

What is Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 6042-32-6)?

Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate is a synthetic compound used in pharmaceutical research. It contains a cholestane core with a unique aminoethanesulfonate group attached to the 24-position, which makes it useful for studying bile acid metabolism and related biological processes.

What are the main uses of Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 6042-32-6)?

Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate is primarily used in pharmaceutical research for studying bile acid metabolism and as a tool compound in drug discovery and development. It is also utilized in biochemical research to understand the physiological roles of bile acids.

Is Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 6042-32-6) safe?

Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate is generally safe when handled with proper precautions. Users should avoid skin contact and inhalation of dust. It is recommended to use appropriate personal protective equipment such as gloves and lab coats when working with this compound.

How should Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 6042-32-6) be stored?

Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate should be stored in a cool, dry place away from direct sunlight. It should be kept in a sealed container to prevent moisture absorption. Store at room temperature (15-25°C) and avoid extremes in temperature and humidity to maintain its stability and efficacy.

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Compound Q&A

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Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate | CAS No. 6042-32-6

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What is Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 6042-32-6)?

What are the main uses of Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 6042-32-6)?

Is Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 6042-32-6) safe?

How should Sodium 2-{[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 6042-32-6) be stored?

Related Compounds

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Supplier Information

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