2-Chloro-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate) (CHEM089939)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 02:29:14 UTC | ||||||||
| Update Date | 2026-04-05 02:29:14 UTC | ||||||||
| Accession Number | CHEM089939 | ||||||||
| Identification | |||||||||
| Common Name | 2-Chloro-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate) | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-Chloro-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate) belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It is classified as a lipid and lipid-like molecule with the formula C25H29ClF2O7. With an average molecular weight of 514.95 g/mol, 2-Chloro-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate) is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H29ClF2O7 | ||||||||
| Average Molecular Mass | 514.950 g/mol | ||||||||
| Monoisotopic Mass | 514.157 g/mol | ||||||||
| CAS Registry Number | 59047-08-4 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@]12CC[C@](OC(C)=O)(C(=O)COC(C)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1(F)[C@@]2([H])C[C@@]([H])(F)C2=CC(=O)C(Cl)=C[C@]12C | ||||||||
| InChI Identifier | InChI=1/C25H29ClF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3 | ||||||||
| InChI Key | UMRUFBVWHMUYIH-HKXOFBAYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
