(3beta,5beta,7beta,8xi,20R)-3,7-Dihydroxycholan-24-oic acid | CAS No. 78919-26-3

(3beta,5beta,7beta,8xi,20R)-3,7-Dihydroxycholan-24-oic acid

Basic Information

CAS Number

78919-26-3

Molecular Formula

C24H40O4

Molecular Weight

392.58 g/mol

AD

Basic Physical Properties

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

InChI

InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1

InChIKey

RUDATBOHQWOJDD-DNMBCGTGSA-N

LogP

4.477900000000004

Topological Polar Surface Area

77.76 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

605

Synonyms & References

English

  • ISO-URSODEOXYCHOLIC ACID
  • URSODEOXYCHOLIC ACID IMPURITY H [EP IMPURITY]
  • NS00116036
  • 78919-26-3
  • 3
  • 3b-Ursodeoxycholic acid
  • 3b,7b-Dihydroxy-5b-cholan-24-oate
  • 2R6LC4J3N9
  • 3b-Ursodeoxycholate
  • 3.BETA.,7.BETA.-DIHYDROXY-5.BETA.-CHOLANIC ACID
  • 3.BETA.,7.BETA.-DIHYDROXY-5.BETA.-CHOLAN-24-OIC ACID
  • Cholan-24-oic acid, 3,7-dihydroxy-, (3beta,5beta,7beta)-
  • ES-2583
  • 3beta-Ursodeoxycholic Acid
  • 3b,7b-Dihydroxy-5b-cholanoic acid
  • CHEBI:43419
  • AKOS037652807
  • UNII-2R6LC4J3N9
  • (3beta,5beta,7alpha,14beta,17alpha)-3,7-dihydroxycholan-24-oic acid
  • 3beta-Usrodeoxycholic Acid
  • Q27104506
  • DTXSID901318875
  • 3.BETA.-URSODEOXYCHOLIC ACID
  • 3 beta -Ursodeoxycholic Acid
  • (4R)-4-[(3S,5S,7S,8R,9S,10S,13R,14S,17R)-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]pentanoic acid
  • CHOLAN-24-OIC ACID, 3,7-DIHYDROXY-, (3.BETA.,5.BETA.,7.BETA.)-
  • (3beta,5beta,7beta)-3,7-dihydroxycholan-24-oic acid
  • 3b,7b-Dihydroxy-5b-cholanic acid
  • 3b,7b-Dihydroxy-5b-cholanate
  • SCHEMBL209535
  • CS-0062365

MDL Number

MFCD25563270

FAQ

What is (3beta,5beta,7beta,8xi,20R)-3,7-Dihydroxycholan-24-oic acid (CAS: 78919-26-3)?

(3beta,5beta,7beta,8xi,20R)-3,7-Dihydroxycholan-24-oic acid, also known as CDCA, is a secondary bile acid. It has a chemical formula of C24H38O4 and is commonly used in medical and pharmaceutical applications. It is a major component in the human bile and is involved in cholesterol metabolism.

What are the main uses of (3beta,5beta,7beta,8xi,20R)-3,7-Dihydroxycholan-24-oic acid (CAS: 78919-26-3)?

(3beta,5beta,7beta,8xi,20R)-3,7-Dihydroxycholan-24-oic acid (CDCA) is primarily used as a reagent in biochemical and pharmaceutical research. It is also found in bile and can be used in the treatment of certain liver diseases. CDCA can aid in the study of bile acid metabolism and the development of drugs targeting the digestive system.

Is (3beta,5beta,7beta,8xi,20R)-3,7-Dihydroxycholan-24-oic acid (CAS: 78919-26-3) safe?

(3beta,5beta,7beta,8xi,20R)-3,7-Dihydroxycholan-24-oic acid (CDCA) is generally considered safe when used under proper medical supervision. However, it should be handled with caution due to its potential effects on liver function. Protective measures include wearing gloves and respirators, and ensuring proper ventilation.

How should (3beta,5beta,7beta,8xi,20R)-3,7-Dihydroxycholan-24-oic acid (CAS: 78919-26-3) be stored?

(3beta,5beta,7beta,8xi,20R)-3,7-Dihydroxycholan-24-oic acid (CDCA) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Store at room temperature or slightly below, typically between 15-25°C, to ensure its stability and efficacy.

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