Introduction：Basic information about CAS 4651-67-6|7-Ketolithocholic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 7-Ketolithocholic acid |
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| CAS Number | 4651-67-6 | Molecular Weight | 390.556 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 545.9±25.0 °C at 760 mmHg |
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| Molecular Formula | C24H38O4 | Melting Point | 205ºC |
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| MSDS | / | Flash Point | 298.0±19.7 °C |
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Names
| Name | 7-oxolithocholic acid |
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| Synonym | More Synonyms |
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7-Ketolithocholic acid BiologicalActivity
| Description | 7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid), a bile acid, can be absorbed and suppresses endogenous bile acid production and biliary cholesterol secretion[1][2]. |
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| Related Catalog | Research Areas >>Metabolic Disease |
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| Target | Human Endogenous Metabolite |
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| In Vitro | Bile acids are main components of mammalian bile. They are steroid carboxylic acids that synthesized from cholesterol in liver tissue[1]. |
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| References | [1]. Choucair I, et al. Quantification of bile acids: a mass spectrometry platform for studying gut microbe connectionto metabolic diseases. J Lipid Res. 2020 Feb;61(2):159-177. [2]. Salen G, et al. Effect of 7-ketolithocholic acid on bile acid metabolism in humans. Gastroenterology. 1982 Aug;83(2):341-7. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 545.9±25.0 °C at 760 mmHg |
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| Melting Point | 205ºC |
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| Molecular Formula | C24H38O4 |
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| Molecular Weight | 390.556 |
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| Flash Point | 298.0±19.7 °C |
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| Exact Mass | 390.277008 |
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| PSA | 74.60000 |
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| LogP | 4.25 |
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| Vapour Pressure | 0.0±3.3 mmHg at 25°C |
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| Index of Refraction | 1.535 |
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| InChIKey | DXOCDBGWDZAYRQ-AURDAFMXSA-N |
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| SMILES | CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C |
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Safety Information
| Hazard Codes | Xi |
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| Safety Phrases | 22-24/25 |
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| HS Code | 2918990090 |
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Customs
| HS Code | 2918990090 |
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| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 3-Hydroxy-7-oxocholan-24-oic acid |
| 3α-Hydroxy-7-keto-5β-cholanic Acid |
| EINECS 225-083-2 |
| 3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID |
| 4-(3-Hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid |
| 3α-Hydroxy-7-oxo-5β-cholanic Acid |
| Cholan-24-oic acid, 3-hydroxy-7-oxo- |
| 3a-Hydroxy-7-oxo-5b-cholanic acid |
