2-{[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid

Basic Information

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CAS Number

516-35-8

Molecular Formula

C26H45NO6S

Molecular Weight

499.71 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

Solubility

N/A

SMILES

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C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

InChI

InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20?,21?,22-,24?,25+,26-/m1/s1

InChIKey

BHTRKEVKTKCXOH-RZGYGYJVSA-N

LogP

3.397300000000002

Topological Polar Surface Area

123.93 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

858

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Taurochenodeoxycholic acid
2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid
Chenodeoxycholyltaurine
Chenodeoxytaurocholic acid
N-(2-Sulfoethyl)-3α,7α-dihydroxy-5β-cholane-24-amide
C05465
Chenodeoxycholoyltaurine
12-Deoxycholyltaurine
2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic acid
2-((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic acid
Taurochenodeoxycholic Acid-d5 (Major) (See T008133)
Taurochenodesoxycholic acid
[3H]-Chenodeoxycholyltaurine
12-Desoxycholyltaurine
Chenyltaurine
Taurochenodeoxycholicacid
2-[[(4R)-4-[(3R,7R,8R,9R,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,1
2-((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)

MDL Number

MFCD00232922

FAQ

What regulatory guidelines apply to 2-{[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid (CAS: 516-35-8)?

This compound is subject to various regulatory guidelines including GHS classification, REACH regulations, FDA registration, and EPA reporting requirements. Specific classifications and thresholds are defined by local and international authorities to ensure safe handling and disposal.

Are there alternatives to 2-{[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid in synthesis?

Several alternatives can be considered in the synthesis of this compound, including other amino acid derivatives or cyclic ethers. Common substitutes include similar cholate derivatives or related ethanesulfonic acid compounds, depending on the desired properties and application.

What is the market or research trend for 2-{[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid (CAS: 516-35-8)?

Research trends indicate a growing interest in this compound for its potential in pharmaceuticals and biotechnology. Market demand is expected to increase due to its applications in drug development and biological studies. However, cost fluctuations and regulatory changes may impact the market dynamics.

How should waste containing 2-{[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid (CAS: 516-35-8) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is an effective method, but environmental protection measures must be taken to prevent contamination. Compliance with local hazardous waste regulations is essential for safe disposal.