(3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid

Basic Information

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CAS Number

88426-32-8

Molecular Formula

C24H40O10S2

Molecular Weight

552.71 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

Density

1.41

Refractive Index

1.581

SMILES

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CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C

InChI

InChI=1S/C24H40O10S2/c1-14(4-7-21(25)26)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(33-35(27,28)29)12-15(23)13-20(22)34-36(30,31)32/h14-20,22H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1

InChIKey

BWXSDJHAJWTEAD-UZVSRGJWSA-N

LogP

4.132100000000003

Topological Polar Surface Area

164.5 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

1050

Synonyms & References

English

DTXSID201024714
UNII-AJS8W2AXJH
88426-32-8
3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid bis(hydrogen sulfate)
Ursulcholic acid [INN]
SCHEMBL6269998
Ursulcholic acid
AJS8W2AXJH
CHEMBL2107238
NS00120563
Q27273961
(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
3.ALPHA.,7.BETA.-DIHYDROXY-5.BETA.-CHOLAN-24-OIC ACID BIS(HYDROGEN SULPHATE)
Ursulcholic
3.ALPHA.,7.BETA.-DIHYDROXY-5.BETA.-CHOLAN-24-OIC ACID BIS(HYDROGEN SULFATE)
Cholan-24-oic acid,3,7-bis(sulfooxy)-,(3R,5&acirc
,- 7&acirc

MDL Number

MFCD00868584

FAQ

What is (3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid (CAS: 88426-32-8)?

(3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid is a steroidal acid derivative with CAS number 88426-32-8. It is characterized by its unique structure, featuring sulfoxide groups at positions 3 and 7, which contribute to its pharmacological activity. This compound is known for its potential in pharmaceutical applications and research.

What are the main uses of (3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid (CAS: 88426-32-8)?

The main uses of (3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid include pharmaceutical applications, particularly in the development of bile acid analogues. It is also used in research for studying bile acid metabolism and as a potential therapeutic agent in various liver diseases.

Is (3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid (CAS: 88426-32-8) safe?

(3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid is generally considered safe when handled according to safety guidelines. However, it should be handled with caution due to its chemical nature. Protective measures such as gloves and goggles should be used to prevent skin and eye contact. Proper ventilation is also essential during handling.

How should (3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid (CAS: 88426-32-8) be stored?

(3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid should be stored at a temperature below 25°C in a cool, dry, and well-ventilated place. It should be protected from light and stored in a tightly sealed container to prevent degradation. Avoid contact with moisture and keep away from heat sources.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

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Compound Q&A

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Compound Q&A

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Compound Q&A

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(3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid | CAS No. 88426-32-8

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Density

Refractive Index

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What is (3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid (CAS: 88426-32-8)?

What are the main uses of (3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid (CAS: 88426-32-8)?

Is (3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid (CAS: 88426-32-8) safe?

How should (3alpha,5beta,7beta,20R)-3,7-Bis(sulfooxy)cholan-24-oic acid (CAS: 88426-32-8) be stored?

Related Compounds

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