Sodium (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate

Basic Information

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CAS Number

2898-95-5

Molecular Formula

C24H39NaO4

Molecular Weight

414.56 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

SMILES

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

InChI

InChI=1S/C24H40O4.Na/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);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-;/m1./s1

InChIKey

WDFRNBJHDMUMBL-FUXQPCDDSA-M

LogP

2.7623999999999995

Topological Polar Surface Area

80.59 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

612

Synonyms & References

English

Ursodeoxycholic Acid, Sodium Salt
AS-80795
URSODEOXYCHOLATE SODIUM [WHO-DD]
5beta-Cholanic Acid-3alpha,7beta-diol Sodium Salt
Ursodeoxycholate sodium
Cholan-24-oic acid, 3,7-dihydroxy-, MonosodiuM salt, (3a,5b,7b)-
YKU915YJNV
Q27294570
3 alpha,7 beta Dihydroxy 5 beta cholan 24 oic Acid
Cholan-24-oic acid, 3,7-dihydroxy-, sodium salt (1:1), (3alpha,5beta,7beta)-
103767-93-7
Sodium Ursodeoxycholate
J-017344
ursodeoxycholic acid sodium
UNII-YKU915YJNV
sodium (R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
2898-95-5
HY-13771A
CHEMBL2028234
Ursodeoxycholic acid (sodium)
2898-95-5 (sodium)
3alpha,7beta-Dihydroxy-5beta-cholanic Acid Sodium Salt
sodium;(4R)-4-[(3R, 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]pentanoate
Ursodeoxycholic Acid Sodium Salt
CS-0023364
Ursodeoxycholate sodium;Ursodiol sodium;UCDA sodium
Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3alpha,5beta,7beta)-
sodium (4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
sodium;(4R)-4-[(3R,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]pentanoate
U0068
Ursodeoxycholic Acid (sodium salt)

MDL Number

MFCD09752609

FAQ

What is Sodium (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate (CAS: 2898-95-5)?

Sodium (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate is a bile acid derivative. It is used in pharmaceuticals and research applications due to its pharmacological properties related to bile acid metabolism.

What are the main uses of Sodium (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate (CAS: 2898-95-5)?

This compound is primarily used in pharmaceuticals for its effects on bile acid metabolism and in research as a model compound for studying bile acid physiology and pharmacology.

Is Sodium (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate (CAS: 2898-95-5) safe?

Sodium (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate is generally safe when used as directed, but users should follow safety guidelines and precautions, especially in handling and disposal.