CAS Number81-23-2
Synonyms3,7,12-trioxo-5β-cholanic acid; EINECS 201-335-7; (5β,20R)-3,7,12-Trioxocholan-24-oic acid; 3,7,12-Triketo-5b-cholanic Acid; 3,7,12-Trioxo-5b-cholan-24-oic Acid; MFCD00066410; 3,7,12-trioxo-5beta-cholanic acid; (5b)-3,7,12-Trioxocholan-24-oic Acid; 3,7,12-Trioxocholan-24-oic acid; Dehydrocholic acid
Molecular FormulaC24H34O5
Molecular Weight402.52
Purity99%
Density1.2±0.1 g/cm3
Boiling Point581.5±50.0 °C at 760 mmHg
Melting Point238-240 °C
AppearanceWhite to off-white amorphous powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 81-23-2 |
| Catalog No. | 2A-9010032 |
| Chinese Name | 去氢胆酸 |
| Synonyms | 3,7,12-trioxo-5β-cholanic acid; EINECS 201-335-7; (5β,20R)-3,7,12-Trioxocholan-24-oic acid; 3,7,12-Triketo-5b-cholanic Acid; 3,7,12-Trioxo-5b-cholan-24-oic Acid; MFCD00066410; 3,7,12-trioxo-5beta-cholanic acid; (5b)-3,7,12-Trioxocholan-24-oic Acid; 3,7,12-Trioxocholan-24-oic acid; Dehydrocholic acid |
| Molecular Formula | C24H34O5 |
| Molecular Weight | 402.52 |
| Purity | 99 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 581.5±50.0 °C at 760 mmHg |
| Melting Point | 238-240 °C |
| Appearance | White to off-white amorphous powder |
| Storage Condition | This product should be stored in a sealed, cool, d |
| Application | Dehydrocholic acid is a synthetic bile acid generated from the oxidation of bile acid and is used as a bile excretory agent to increase bile production and remove increased bile acid load. |
| PubChem ID | 329749529 |
| MDL Number | MFCD00066410 |
| SMILES | [H][C@@]12CC(=O)CC[C@]1(C)[C@@]3([H])CC(=O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])C(=O)C2)[C@H](C)CCC(O)=O |
| InChI | 1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1 |
| InChI Key | OHXPGWPVLFPUSM-KLRNGDHRSA-N |
| Beilstein/REAXYS | 3226734 |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | Transport |
| MSDS | msds/10032_1_81_23_2.pdf |
| Bioactivity | Dehydrocholic acid is a synthetic bile acid, manufactured by the oxidation of cholic acid. Dehydrocholic acid acts as a hydrocholeretic, increasing bile output to clear increased bile acid load. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Endocrinology Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 581.5±50.0 °C at 760 mmHg Melting Point 238-240 °C Molecular Formula C24H34O5 Molecular Weight 402.524 Flash Point 319.5±26.6 °C Exact Mass 402.240631 PSA 88.51000 LogP 1.77 Vapour Pressure 0.0±3.5 mmHg at 25°C Index of Refraction 1.535 InChIKey OHXPGWPVLFPUSM-KLRNGDHRSA-N SMILES CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C |
| Use of | Dehydrocholic acid is a synthetic bile acid, manufactured by the oxidation of cholic acid. Dehydrocholic acid acts as a hydrocholeretic, increasing bile output to clear increased bile acid load. Properties Name 3,7,12-trioxo-5β-cholanic acid Synonym More Synonyms Dehydrocholic acid Biological Activity Description Dehydrocholic acid is a synthetic bile acid, manufactured by the oxidation of cholic acid. Dehydrocholic acid acts as a hydrocholeretic, increasing bile output to clear increased bile acid load. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Endocrinology Chemical & Physical Properties Molecular Formula C24H34O5 Exact Mass 402.240631 PSA 88.51000 Index of Refraction 1.535 InChIKey OHXPGWPVLFPUSM-KLRNGDHRSA-N |
| Transport Info | Product name: Purity: 98.5% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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