CAS 128-13-2|Ursodiol

Introduction:Basic information about CAS 128-13-2|Ursodiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameUrsodiol
CAS Number128-13-2Molecular Weight392.572
Density1.1±0.1 g/cm3Boiling Point547.1±25.0 °C at 760 mmHg
Molecular FormulaC24H40O4Melting Point203-206 ºC
MSDSChineseUSAFlash Point298.8±19.7 °C

Names

NameUrsodeoxycholic acid
SynonymMore Synonyms

Ursodiol BiologicalActivity

DescriptionUrsodiol reduces cholesterol absorption and is used to dissolve gallstones.Target: OthersUrsodiol, also known as ursodeoxycholic acid and the abbreviation UDCA, is one of the secondary bile acids, which are metabolic byproducts of intestinal bacteria. The drug reduces cholesterol absorption and is used to dissolve (cholesterol) gallstones in patients who want an alternative to surgery. The drug is very expensive, however, and if the patient stops taking it, the gallstones tend to recur if the condition that gave rise to their formation does not change. For these reasons, it has not supplanted surgical treatment by cholecystectomy.Ursodeoxycholic acid is currently the only established drug for the treatment of chronic cholestatic liver diseases. It has cytoprotective, anti-apoptotic, membrane stabilizing, anti-oxidative and immunomodulatory effects. Prolonged administration of ursodeoxycholic acid in patients with primary biliary cirrhosis (PBC) is associated with survival benefit and a delaying of liver transplantation.
Related CatalogNatural Products >>SteroidsResearch Areas >>Metabolic Disease
Target

Human Endogenous Metabolite

References

[1]. Jackson H, et al. Influence of ursodeoxycholic acid on the mortality and malignancy associated with primary biliary cirrhosis: a population-based cohort study. Hepatology. 2007 Oct;46(4):1131-7.

[2]. Kumar D, et al. Use of ursodeoxycholic acid in liver diseases. J Gastroenterol Hepatol. 2001 Jan;16(1):3-14.

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point547.1±25.0 °C at 760 mmHg
Melting Point203-206 ºC
Molecular FormulaC24H40O4
Molecular Weight392.572
Flash Point298.8±19.7 °C
Exact Mass392.292664
PSA77.76000
LogP4.66
Vapour Pressure0.0±3.3 mmHg at 25°C
Index of Refraction1.543
InChIKeyRUDATBOHQWOJDD-UZVSRGJWSA-N
SMILESCC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Storage condition2~8°C

Safety Information

Personal Protective EquipmentEyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard CodesXi
Risk PhrasesR36/37/38
Safety PhrasesS24/25
RIDADRNONH for all modes of transport
WGK Germany2
RTECSFZ2000000

Articles108

More Articles
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

[Preventive administration of new UDCA derivatives in experimental alcoholic steatohepatitis].

Eksp. Klin. Farmakol. 76(1) , 25-9, (2013)

We have studied the prophylactic effect of new derivatives of ursodeoxycholic acid (UDCA), including UDCA-N-acetylcysteine, UDCA-L-acetylcysteine, and nor-UDCA (in doses equivalent to 40 mg/kg of UDCA...

Synonyms

(3a,5b,7b,8x)-3,7-dihydroxycholan-24-oic acid
Ursofalk
17b-(1-Methyl-3-carboxypropyl)etiocholane-3a,7b-diol
3α,7β-Dihydroxy-6β-cholan-24-oic acid
Ursolvan
Ursochol
Peptarom
(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Actigall
Delursan
Ursodeoxycholic acid
(3α,5β,7β)-3,7-Dihydroxycholan-24-oic acid
3a,7b-dihydroxy-5b-cholan-24-oic acid
(3α,5β,7β,8ξ,20R)-3,7-Dihydroxycholan-24-oic acid
Cholan-24-oic acid, 3,7-dihydroxy-, (3α,5β,7β)-
Litursol
Cholit-ursan
(3a,5b,7b)-3,7-dihydroxy-cholan-24-oic acid
3,7-Dihydroxycholan-24-oic acid
3α,7β-dihydroxy-5β-cholan-24-oic acid
(3a,5b,7b)-3,7-Dihydroxycholan-24-oic Acid
cholan-24-oic acid, 3,7-dihydroxy-, (3a,5b,7b,8x)-
Ursacol
Ursodiol
Cholan-24-oic acid, 3,7-dihydroxy-, (3α,5β,7β,8ξ,20R)-
3a,7b-Dioxycholanic Acid
Destolit
MFCD00003680
3alpha,7beta-Dihydroxy-6beta-cholan-24-oic acid
Arsacol
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