3-[Dimethyl(3-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-2-hydroxy-1-propanesulfonate

Basic Information

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CAS Number

82473-24-3

Molecular Formula

C32H58N2O8S

Molecular Weight

630.9 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

184-186 °C

Boiling Point

°Cat760mmHg

Density

1.0453 (rough estimate)

Solubility

H2O: 10 mg/mL at 20 °C, clear, colorless

Refractive Index

1.6900 (estimate)

SMILES

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CC(CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

InChI

InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1

InChIKey

GUQQBLRVXOUDTN-XOHPMCGNSA-N

LogP

3.32460

Complexity

1070

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

CHAPSO, Vetec(TM) reagent grade, >=98%
A864403
1-Propanaminium, 2-hydroxy-N,N-dimethyl-3-sulfo-N-(3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)propyl)-, hydroxide, inner salt
DTXSID901002705
CS-W020941
UNII-V9N9RGA14M
MFCD00081079
1-PROPANAMINIUM, 2-HYDROXY-N,N-DIMETHYL-3-SULFO-N-(3-(((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)PROPYL)-, INNER SALT
Q27291705
V9N9RGA14M
82473-24-3
3-[(3-cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulphonate
3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate (CHAPSO)
3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate
3-(dimethyl(3-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propyl)ammonio)-2-hydroxypropane-1-sulfonate
3-((3-cholamidopropyl)dimethylammonio)-2-hydroxy-1-propanesulfonate
(2-hydroxy-3-sulfopropyl)-dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azanium
AS-35189
3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate
CHAPSO, >=98%
3-(Dimethyl{3-[(3,7,12,24-tetrahydroxycholan-24-ylidene)amino]propyl}azaniumyl)-2-hydroxypropane-1-sulfonate
GUQQBLRVXOUDTN-XOHPMCGNSA-N
SCHEMBL594591
CHAPSO, BioXtra
NS00121753
AKOS025286002
chapso
3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propane sulfonate
3-([3-Cholamidopropyl]dimethylammonio)-2-hydroxy-1-propanesulfonate
3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate
CHAPSO

MDL Number

MFCD00081079

FAQ

What are the physical and chemical properties of 3-[Dimethyl(3-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-2-hydroxy-1-propanesulfonate (CAS: 82473-24-3)?

The compound has a crystalline form with a molecular weight of approximately 1000 g/mol. It is soluble in water with a solubility of about 10 g/L. The compound exhibits moderate reactivity and is stable under acidic and basic conditions. It is also thermally stable up to 100°C. This compound is an ionic surfactant with potential use in pharmaceuticals and cosmetics.

How is 3-[Dimethyl(3-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-2-hydroxy-1-propanesulfonate (CAS: 82473-24-3) typically synthesized?

This compound is typically synthesized through the reaction of a choline derivative with dimethylamine followed by sulfonation. The synthesis involves mild conditions and the use of appropriate catalysts to achieve high selectivity. The overall yield is around 80%. This process requires careful control of pH and temperature to ensure product purity.

What industries use 3-[Dimethyl(3-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-2-hydroxy-1-propanesulfonate (CAS: 82473-24-3)?

This compound is used in the pharmaceutical industry for its surfactant properties, enhancing solubility and absorption of drugs. It also has potential applications in the cosmetic industry as a moisturizer and emulsifier. Additionally, it can be used in the food industry as a stabilizer and emulsifier for food products.

What precautions should be taken when handling 3-[Dimethyl(3-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-2-hydroxy-1-propanesulfonate (CAS: 82473-24-3)?

Proper personal protective equipment (PPE) should be worn when handling this compound, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately with appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information and emergency procedures.