| CAS Number | 66964-58-7 |
| Catalog Number | AG00FDMU(AGN-PC-0WH386) |
| Chemical Name | 17-Desethynyl Norethindrone Diacetate |
| IUPAC Name | [(8R,9S,10R,13S,14S,17S)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate |
| InChI | InChI=1S/C22H30O4/c1-13(23)22(26-14(2)24)11-9-20-19-6-4-15-12-16(25)5-7-17(15)18(19)8-10-21(20,22)3/h12,17-20H,4-11H2,1-3H3/t17-,18+,19+,20-,21-,22+/m0/s1 |
| InChI Key | MTSLFKWJINJVBO-REGVOWLASA-N |
| MDL Number | MFCD22683679 |
| Molecular Formula | C22H30O4 |
| Molecular Weight | 358.4712 |
| SMILES | CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(=O)C |
| Synonyms | 17-Desethynyl Norethindrone Diacetate,
66964-58-7,
SCHEMBL10951986,
DTXSID00451932,
LS-97388,
(17S)-17-Acetoxy-19-norpregn-4-ene-3,20-dione,
(17|A)-17-(Acetyloxy)-19-norpregn-4-ene-3,20-dione,
17-Hydroxy-19-nor-17|A-pregn-4-ene-3,20-dione Acetate,
CID11013778,
19-Nor-17alpha-hydroxyprogesterone acetate,
|
| Complexity | 692 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.214g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.478g/mol |
| Monoisotopic Mass | 358.214g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number