Ursodeoxycholate sodium
Also known as Sodium Ursodeoxycholate, Ursodeoxycholic Acid Sodium Salt, ursodeoxycholic acid sodium
Key facts
What buyers check first
- CAS number
- 103767-93-7
- Formula
- C24H39NaO4
- Molar mass
- 414.56 g/mol
- EC number
- 684-592-1
- HS code
- 291819
- Category
- Steroids and sterols
What is Ursodeoxycholate sodium?
Plain description, key identifiers and synonyms
Ursodeoxycholate sodium is a chemical substance with the molecular formula C24H39NaO4 and a molar mass of 414.56 g/mol. Its CAS registry number is 103767-93-7. The IUPAC name is 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.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 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
- CAS number
- 103767-93-7Other or deprecated CAS: 2898-95-5
- EC number
- 684-592-1
- Molecular formula
- C24H39NaO4
- UNII
- YKU915YJNV
- MDL number
- MFCD00065453, MFCD09752609
- InChIKey
- WDFRNBJHDMUMBL-FUXQPCDDSA-M
- 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
- Canonical SMILES
- CC(CCC(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.[Na+]
- Isomeric SMILES
- C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]
Synonyms
- Sodium Ursodeoxycholate
- Ursodeoxycholic Acid Sodium Salt
- ursodeoxycholic acid sodium
- Ursodeoxycholic acid (sodium)
- 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
- Cholan-24-oic acid, 3,7-dihydroxy-, sodium salt (1:1), (3alpha,5beta,7beta)-
- Ursodeoxycholic Acid (sodium salt)
- 2898-95-5 (sodium)
- (3alpha,5beta,7beta)-3,7-Dihydroxy-cholan-24-oic acid Monosodium Salt, 3alpha,7beta-Dihydroxy-5beta-Cholan-24-oic Acid Monosodium Salt
- 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
- Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3alpha,5beta,7beta)-
- 5beta-Cholanic Acid-3alpha,7beta-diol Sodium Salt
- Ursodeoxycholate sodium, Ursodiol sodium, UCDA sodium
- 3alpha,7beta-Dihydroxy-5beta-cholanic Acid Sodium Salt
- Cholan-24-oic acid, 3,7-dihydroxy-, sodium salt (1:1), (3|A,5|A,7|A)-
- 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
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 414.56 g/molcalc.Computed value |
|---|---|
| Exact mass | 414.2746 Dacalc.Computed value |
| LogP (octanol/water) | 0.15calc.Computed value |
| Topological polar surface area | 80.59 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 29calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.96calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 10calc.Computed value |
| Components | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H335May cause respiratory irritation.
Precautionary statements (16)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidUrsodeoxycholate sodium suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, NanjingUnclaimed profileUrsodeoxycholate sodiumGrade, purity and minimum order on requestPrice on request
- United States, HoustonUnclaimed profileUrsodeoxycholate sodiumGrade, purity and minimum order on requestPrice on request
- Spain, BarcelonaUnclaimed profileUrsodeoxycholate sodiumGrade, purity and minimum order on requestPrice on request
- United States, San DiegoUnclaimed profileUrsodeoxycholate sodiumGrade, purity and minimum order on requestPrice on request
- United States, HaywardUnclaimed profileUrsodeoxycholate sodiumGrade, purity and minimum order on requestPrice on request
- United States, Buffalo GroveUnclaimed profileUrsodeoxycholate sodiumGrade, purity and minimum order on requestPrice on request
- Hong Kong, Kwun Tong,KowloonUnclaimed profileUrsodeoxycholate sodiumGrade, purity and minimum order on requestPrice on request
- United States, BristolUnclaimed profileUrsodeoxycholate sodiumGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileUrsodeoxycholate sodiumGrade, purity and minimum order on requestPrice on request
- Canada, ScarboroughUnclaimed profileUrsodeoxycholate sodiumGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
19 suppliers in 7 countries
- United States9
- China5
- Canada1
- Spain1
- United Kingdom1
- Hong Kong1
- and 1 more countries
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Ursodeoxycholate sodium price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Ursodeoxycholate sodium is traded under.
Carboxylic acids with alcohol function but without other oxygen function, theirโฆ
- Germany11.7%
- South Korea9.8%
- Italy9.6%
* Partner reported figures, a lower bound.
The HS code shown for Ursodeoxycholate sodium is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Ursodeoxycholate sodium, based on the data on this page
What is Ursodeoxycholate sodium?
What is the CAS number of Ursodeoxycholate sodium?
What is the molecular formula and weight of Ursodeoxycholate sodium?
Is Ursodeoxycholate sodium hazardous?
What is the HS code of Ursodeoxycholate sodium?
Where can I buy Ursodeoxycholate sodium?
What is the price of Ursodeoxycholate sodium?
Guides for buyers
Practical guides that help when you source, ship or handle Ursodeoxycholate sodium
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
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