HuagongsheHuagongshe Chemistry Print Report · For research reference only
(1beta,2beta)-17-(Acetyloxy)-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione
3C · Cyproterone Intermediates · CPA acylate · Cyproterone int1 · Color Pronk acylate · Cyproterone Intermediates 1 · 6-Deschloro Cyproterone Acetate · Cyproterone Acetate EP Impurity A
![(1beta,2beta)-17-(Acetyloxy)-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione molecular structure](/img/chemical/13519086.png)
Identifiers & Physical Properties
| CAS No. | 2701-50-0 |
|---|---|
| Molecular formula | C24H30O4 |
| Average molar mass | 382.5 g/mol |
| Monoisotopic mass | 382.21440944 g/mol |
| SMILES | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C |
| InChIKey | ARUYPSAYKHCXNE-UQNNAPNASA-N |
| PubChem CID | 13519086 |
| EC No. | 427-820-5 |
| DTXSID | DTXSID201129275 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 60.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 853 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Melting point | 280-281 ºC |
| Boiling point | 518.4±50.0 °C(Predicted) |
| Density | 1.21 |
| Storage conditions | 2-8°C |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Physical state | Solid |
| Color | Off-White to Pale Yellow |
| REACH registrations | Inactive |
Safety & Regulations
| Regulatory information | Status: Active Update: 21-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34114 |
|---|---|
| REACH registrations | Inactive |
Applications & Uses
Uses
6-Deschloro Cyproterone Acetate (Cyproterone Acetate EP Impurity A) is an impurity of Cyproterone acetate (C989100).