Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate

Basic Information

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CAS Number

35807-85-3

Molecular Formula

C26H44NNaO6S

Molecular Weight

521.7 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

Physical State

Off-White to Pale Beige

Melting Point

173-175°C

Solubility

DMSO (Slightly, Heated), Ethanol (Slightly, Sonicated), Methanol (Slightly)

Specific Rotation

+40～+50°(D/20℃)

SMILES

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CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]

InChI

InChI=1S/C26H45NO6S.Na/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);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-;/m1./s1

InChIKey

IYPNVUSIMGAJFC-JUWYWQLMSA-M

LogP

4.52640

Complexity

864

Safety Information

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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

Storage Conditions

2-8℃

Synonyms & References

English

Ethanesulfonic acid, 2-(((3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-, sodium salt (1:1)
CCG-269868
Q27265654
Tauroursodeoxycholic acidsodium salt
TUDCA sodium
Tauroursodeoxycholate Sodium
Sodium taurochenodesoxycholate
P2SD3PHQ3Y
AKOS016005356
6X4JLR867N
Tauroursodeoxycholic Acid Sodium Salt (90%)
Sodium tauroursodeoxycholate
Sodium Tauroursodeoxycholate (TUDC)
Sodium tauroursodesoxycholate
HY-19696A
Tauroursodeoxycholate (Sodium)
UNII-6X4JLR867N
TauroursodeoxycholateSodium
TAURURSODIOL SODIUM
2-(((3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid monosodium salt
Sodium taurochenodeoxycholate
ETHANESULFONIC ACID, 2-(((3.ALPHA.,5.BETA.,7.BETA.)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)-, MONOSODIUM SALT
C74842
s7896
CS-5351
3a,7ss-Dihydroxy-5ss-cholan-24-oic acid N-(2-sulfoethyl)amide
UNII-P2SD3PHQ3Y
CHENYL TAURINE SODIUM
Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt
Tauroursodeoxycholate sodium salt
Tauroursodeoxycholic acid sodium salt

MDL Number

MFCD00065451

Customs Code

2924297099

FAQ

What regulatory guidelines apply to Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 35807-85-3)?

Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS 35807-85-3) must comply with various regulatory guidelines. It should be classified and labeled according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). In Europe, it is subject to the REACH regulations, ensuring that manufacturers and importers register the substance if it exceeds the tonnage threshold. In the United States, the FDA and EPA may have specific requirements for the handling, storage, and use of this compound in pharmaceuticals or other applications.

Are there alternatives to Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 35807-85-3) in synthesis?

In the synthesis of compounds similar to Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS 35807-85-3), researchers may consider using other cholic acid derivatives such as cholic acid itself, deoxycholic acid, or their corresponding aminoethanesulfonate analogs. These alternatives can serve as effective starting materials or intermediates depending on the specific application and desired product.

What is the market or research trend for Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 35807-85-3)?

Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS 35807-85-3) is currently trending in the research of bile acid derivatives and their potential pharmaceutical applications. The compound is of interest due to its structural similarity to natural bile acids, which are known to have various biological activities. Market trends suggest increasing demand for this compound in drug discovery and development, particularly in the treatment of liver diseases and gastrointestinal disorders.

How should waste containing Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 35807-85-3) be handled?

Waste containing Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS 35807-85-3) should be collected in appropriate containers labeled with the substance's identity and any hazards. The waste should be neutralized if necessary and then disposed of in accordance with local regulations. For large quantities or hazardous waste, professional waste disposal services must be contacted. Environmental protection measures, such as minimizing spill risks and using proper personal protective equipment, should be followed during handling and disposal.

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Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate | CAS No. 35807-85-3

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Physical State

Melting Point

Solubility

Specific Rotation

Chemical Properties

SMILES

InChI

InChIKey

LogP

Complexity

Safety Information

Hazard Statement

Storage Conditions

Synonyms & References

English

MDL Number

Customs Code

FAQ

What regulatory guidelines apply to Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 35807-85-3)?

Are there alternatives to Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 35807-85-3) in synthesis?

What is the market or research trend for Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 35807-85-3)?

How should waste containing Sodium 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate (CAS: 35807-85-3) be handled?

Related Compounds

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