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Substance Name: Ursodiol [USAN:USP]
RN: 128-13-2
UNII: 724L30Y2QR
InChIKey: RUDATBOHQWOJDD-UZVSRGJWSA-N
Note
- An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.
Molecular Formula
- C24-H40-O4
Molecular Weight
- 392.576
- All
- Classifications
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- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Anticholelithogenic
- Antiviral (COVID-19)
- Cholagogues and Choleretics
- Drug / Therapeutic Agent
- Gastrointestinal Agents
- Mutation Data
- Reproductive Effect
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Names and Synonyms
Name of Substance
- Ursodeoxycholic acid
- Ursodeoxycholic acid [INN]
- Ursodiol [USAN:USP]
MeSH Heading
- Ursodeoxycholic acid
Synonyms
- 17-beta-(1-Methyl-3-carboxypropyl)etiocholane-3-alpha,7-beta-diol
- 3,7-Dihydroxycholan-24-oic acid
- 3-alpha,7-beta-Dihydroxy-5-beta-cholanoic acid
- 3-alpha,7-beta-Dihydroxycholanic acid
- 3-alpha,7-beta-Dioxycholanic acid
- 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid
- 4-10-00-01604 (Beilstein Handbook Reference)
- 7-beta-Hydroxylithocholic acid
- Acide ursodesoxycholique
- Acide ursodesoxycholique [INN-French]
- Acido ursodeossicolico
- Acido ursodeossicolico [Italian]
- Acido ursodeoxicolico
- Acido ursodeoxicolico [INN-Spanish]
- Acidum ursodeoxycholicum
- Acidum ursodeoxycholicum [INN-Latin]
- Actigall
- Arsacol
- BRN 3219888
- CCRIS 5502
- Cholit-ursan
- Delursan
- Destolit
- Deursil
- EC 204-879-3
- EINECS 204-879-3
- Litursol
- Lyeton
- NSC 657950
- NSC 683769
- Peptarom
- Solutrat
- UNII-724L30Y2QR
- Ursacol
- UrSO
- Urso 250
- Urso DS
- Urso Forte
- Ursobilin
- Ursochol
- Ursocholic acid, deoxy-
- Ursodamor
- Ursodeoxycholate
- Ursodeoxycholic acid
- Ursodesoxycholic acid
- Ursodiol
- Ursofalk
- Ursolvan
Systematic Names
- 5-beta-Cholan-24-oic acid, 3-alpha,7-beta-dihydroxy-
- Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-beta)-
- Cholan-24-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7beta)-
- Ursodeoxycholic acid
Registry Numbers
CAS Registry Number
- 128-13-2
FDA UNII
- 724L30Y2QR
Other Registry Numbers
- 50809-41-1
- 80225-86-1
System Generated Number
- 0000128132
Structure Descriptors
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/s1InChIKey
RUDATBOHQWOJDD-UZVSRGJWSA-NSmiles
C[C@H](CCC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1200mg/kg (1200mg/kg) | SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Kiso to Rinsho. Clinical Report. Vol. 9, Pg. 3159, 1975. |
mouse | LD50 | intravenous | 240mg/kg (240mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 9, Pg. 3159, 1975. |
mouse | LD50 | oral | > 10gm/kg (10000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 9, Pg. 3159, 1975. | |
mouse | LD50 | subcutaneous | 1gm/kg (1000mg/kg) | "Modern Pharmaceuticals of Japan, IV," Tokyo, Japan Pharmaceutical, Medical and Dental Supply Exporters' Assoc., 1972Vol. -, Pg. 109, 1972. | |
rat | LD50 | intraperitoneal | 700mg/kg (700mg/kg) | Bollettino Chimico Farmaceutico. Vol. 126, Pg. 282, 1987. | |
rat | LD50 | intravenous | 310mg/kg (310mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 9, Pg. 3159, 1975. |
rat | LD50 | oral | 4600mg/kg (4600mg/kg) | Bollettino Chimico Farmaceutico. Vol. 126, Pg. 282, 1987. | |
rat | LD50 | subcutaneous | > 2gm/kg (2000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 9, Pg. 3159, 1975. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 203 | deg C | EXP | |
log P (octanol-water) | 3 | (none) | EXP | |
Water Solubility | 20 | mg/L | 20 | EXP |
Vapor Pressure | 3.00E-13 | mm Hg | 25 | EST |
Henry's Law Constant | 1.41E-11 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 5.28E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.