(3alpha,5beta,20R,24Z)-3-Hydroxy-N-(2-sulfoethyl)cholan-24-imidic acid

Basic Information

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CAS Number

516-90-5

Molecular Formula

C26H45NO5S

Molecular Weight

483.72 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

Refractive Index

1.5650 (estimate)

SMILES

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CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

InChI

InChI=1S/C26H45NO5S/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)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1

InChIKey

QBYUNVOYXHFVKC-GBURMNQMSA-N

LogP

5.266800000000006

Topological Polar Surface Area

107.19000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

825

Synonyms & References

English

CHEBI:36259
BDBM50375593
2-[[(3a,5b)-3-hydroxy-24-oxocholan-24-yl]amino]-Ethanesulfonate
LMST05040003
Taurolithocholsaure
DTXSID20965925
Q7688897
3a-Hydroxy-5b-cholanoyltaurine
GTPL4548
Lithocholyltaurine
2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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]ethanesulfonic acid
AKOS040754144
2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid
N-(3alpha-hydroxy-5beta-cholan-24-oyl)-taurine
BIDD:PXR0162
taurolithocholic acid (TLCA)
N-(3a-hydroxy-5b-cholan-24-oyl)-Taurine
C02592
ST 24:1;O2;T
TAUROLITHOCHOLIC ACID
CHEMBL408701
3a-Hydroxy-N-(2-sulfoethyl)-5b-cholan-24-amide
NCI60_028902
Cholane ethanesulfonic acid deriv.
2-[[(3a,5b)-3-hydroxy-24-oxocholan-24-yl]amino]-Ethanesulfonic acid
taurolithocholic acid-3-sulphate
Taurolithocholate
QBYUNVOYXHFVKC-GBURMNQMSA-N
TLCA
SCHEMBL364160
2-[(3alpha-hydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid

MDL Number

MFCD00200615

FAQ

What regulatory guidelines apply to (3alpha,5beta,20R,24Z)-3-Hydroxy-N-(2-sulfoethyl)cholan-24-imidic acid (CAS: 516-90-5)?

This compound falls under the GHS classification for hazardous substances. It is subject to REACH regulations in the EU, requiring registration and reporting, and must meet FDA and EPA standards for handling and disposal. Special attention should be given to its potential corrosiveness and toxicity in industrial and research settings.

Are there alternatives to (3alpha,5beta,20R,24Z)-3-Hydroxy-N-(2-sulfoethyl)cholan-24-imidic acid (CAS: 516-90-5) in synthesis?

For synthesis, alternatives such as related cholic acid derivatives or simpler precursors can be considered. Common substitutes include cholic acid and its functionalized analogs. These alternatives are more readily available and easier to handle, reducing complexity in synthesis processes.

What is the market or research trend for (3alpha,5beta,20R,24Z)-3-Hydroxy-N-(2-sulfoethyl)cholan-24-imidic acid (CAS: 516-90-5)?

The market for this compound is growing due to its applications in pharmaceuticals and research. Research trends focus on its potential as a therapeutic agent and in drug delivery systems. With increasing demand, there is a trend towards developing more efficient and cost-effective synthesis methods.

How should waste containing (3alpha,5beta,20R,24Z)-3-Hydroxy-N-(2-sulfoethyl)cholan-24-imidic acid (CAS: 516-90-5) be handled?

Waste containing this compound should be collected in appropriate containment and disposed of through incineration or professional waste disposal services. Environmental protection measures should be implemented to prevent contamination. Proper labeling and documentation of waste are crucial to comply with regulatory requirements.

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Compound Q&A

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Compound Q&A

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(3alpha,5beta,20R,24Z)-3-Hydroxy-N-(2-sulfoethyl)cholan-24-imidic acid | CAS No. 516-90-5

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Refractive Index

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What regulatory guidelines apply to (3alpha,5beta,20R,24Z)-3-Hydroxy-N-(2-sulfoethyl)cholan-24-imidic acid (CAS: 516-90-5)?

Are there alternatives to (3alpha,5beta,20R,24Z)-3-Hydroxy-N-(2-sulfoethyl)cholan-24-imidic acid (CAS: 516-90-5) in synthesis?

What is the market or research trend for (3alpha,5beta,20R,24Z)-3-Hydroxy-N-(2-sulfoethyl)cholan-24-imidic acid (CAS: 516-90-5)?

How should waste containing (3alpha,5beta,20R,24Z)-3-Hydroxy-N-(2-sulfoethyl)cholan-24-imidic acid (CAS: 516-90-5) be handled?

Related Compounds

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Supplier Information

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Beijing Solabe Technology Co., Ltd.

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