LITHOCHOLIC ACID
- CAS No.
- 434-13-9
- Chemical Name:
- LITHOCHOLIC ACID
- Synonyms
- Lithocolic acid;NCI-C03861;Lithocholate;(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid;NCI-CO-3861;lithocholicaci;LITHOCHOLIC ACID;Lithocholic aCld;Stone cholic acid;Lithocholic Acide
- CBNumber:
- CB2342229
- Molecular Formula:
- C24H40O3
- Molecular Weight:
- 376.57
- MOL File:
- 434-13-9.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/5/13 13:28:24
| Melting point | 183-188 °C (lit.) |
|---|---|
| alpha | D20 +33.7° (c = 1.5 in abs ethanol); D19 +23.3° (Wieland); D20 +32.1° (Fischer) |
| Boiling point | 445.09°C (rough estimate) |
| Density | 1.0454 (rough estimate) |
| refractive index | 35.5 ° (C=1, EtOH) |
| Flash point | 9℃ |
| storage temp. | room temp |
| solubility | Chloroform (Slightly), Dichloromethane (Slightly, Heated), DMSO (Slightly, Heated) |
| pka | 4.76±0.10(Predicted) |
| form | Powder |
| color | White to off-white |
| Water Solubility | 18.83ug/L(25 ºC) |
| Merck | 5545 |
| BRN | 3217757 |
| InChIKey | SMEROWZSTRWXGI-HVATVPOCSA-N |
| LogP | 6.700 (est) |
| CAS DataBase Reference | 434-13-9(CAS DataBase Reference) |
| EPA Substance Registry System | Lithocholic acid (434-13-9) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS02,GHS06,GHS08 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H225-H301+H311+H331-H370 | |||||||||
| Precautionary statements | P210-P260-P280-P301+P310+P330-P308+P311-P403+P233 | |||||||||
| Safety Statements | 22-24/25 | |||||||||
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | FZ2275000 | |||||||||
| HS Code | 29181998 | |||||||||
| NFPA 704 |
|
LITHOCHOLIC ACID price More Price(8)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | L6250 | Lithocholic acid ≥95% | 434-13-9 | 10G | ₹6798.1 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | L6250 | Lithocholic acid ≥95% | 434-13-9 | 25G | ₹16497.3 | 2022-06-14 | Buy |
| TCI Chemicals (India) | L0089 | Lithocholic Acid min. 97.0 % | 434-13-9 | 5G | ₹4000 | 2022-05-26 | Buy |
| TCI Chemicals (India) | L0089 | Lithocholic Acid min. 97.0 % | 434-13-9 | 25G | ₹13100 | 2022-05-26 | Buy |
| ottokemi | L 1483 | Lithocholic acid, 95%+ | 434-13-9 | 10gm | ₹6102 | 2022-05-26 | Buy |
LITHOCHOLIC ACID Chemical Properties,Uses,Production
Chemical Properties
white to off-white powder
Uses
Lithocholic acid has been used in a study to assess cholestasis and its action on several organs and tissues in rats. It has also been used in a study to investigate the regulation of hepatic phospholipid and bile acid homeostasis through SMAD3 activation by TGFβ.
Definition
ChEBI: A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.
General Description
Hexagonal leaflets (from alcohols) or prisms (from acetic acid) or white powder.
Air & Water Reactions
Insoluble in water.
Health Hazard
ACUTE/CHRONIC HAZARDS: When heated to decomposition LITHOCHOLIC ACID emits acrid smoke and fumes.
Fire Hazard
Flash point data for LITHOCHOLIC ACID are not available. LITHOCHOLIC ACID is probably combustible.
Purification Methods
Lithocholic acid can be purified by conversion to the rather insoluble Na or K salt by addition of the equivalent amount of aqueous NaOH or KOH, filtering off the alkali salt, washing it with ice cold H2O, dissolving it in the least volume of boiling H2O, acidifying with the dilute HCl (slight excess), filtering off the acid, washing with cold H2O and drying it thoroughly in a vacuum. Recrystallise it from Me2CO, EtOH or acetic acid. The methyl ester crystallises from MeOH, with 0.5 mol of MeOH, and has m 92-93o, [] D 25 +34o (MeOH). It has also been purified by recrystallisation from pet ether (b 40-60o) and, after chromatography on Al2O3 in pet ether, gave a labile form m 92-93o which is transformed to the stable form m 125-126o after standing for 2days in a vacuum desiccator. [Hoelm & Mason J Am Chem Soc 62 569 1940, Sarel & Yanuka J Org Chem 24 2018 1959, Beilstein 10 IV 785.]
LITHOCHOLIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| SynThink RESEARCH CHEMICALS | +91-8177860948 +91-8177860948 | Mumbai, India | 494 | 58 | Inquiry |
| Pharma Affiliates | 172-5066494 | Haryana, India | 6761 | 58 | Inquiry |
| Otto Chemie Pvt. Ltd. | +91 9820041841 | Mumbai, India | 5873 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6913 | 58 | Inquiry |
| Sisco Research Laboratories Pvt. Ltd. | +91-22-4268 5800 | Mumbai, India | 4317 | 58 | Inquiry |
| Pharmaffiliates Analytics and Synthetics P. Ltd | +91-172-5066494 | Haryana, India | 6773 | 58 | Inquiry |
| Triveni chemicals | 08048762458 | New Delhi, India | 6093 | 58 | Inquiry |
| Synthonics Research Laboratories | 07942550923 | Mumbai, India | 79 | 58 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
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