| CAS Number | 1175129-26-6 |
| Catalog Number | AG008VWP(AGN-PC-0WCX3P) |
| Chemical Name | Δ-5(6)-Norethindrone Acetate |
| IUPAC Name | [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate |
| InChI | InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,5,17-20H,6-13H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1 |
| InChI Key | KDYGOTULHKNOFI-ZCPXKWAGSA-N |
| MDL Number | MFCD11114037 |
| Molecular Formula | C22H28O3 |
| Molecular Weight | 340.4559 |
| SMILES | CC(=O)O[C@]1(CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C |
| Synonyms | 1175129-26-6,
(17alpha)-3-Oxo-19-norpregn-5-en-20-yn-17-yl acetate,
DTXSID90858214,
Delta-5(6)-Norethindrone Acetate,
AKOS032958270,
(17|A)-17-(Acetyloxy)-19-norpregn-5-en-20-yn-3-one,
-5(6)-norethindrone acetate,
KDYGOTULHKNOFI-ZCPXKWAGSA-N,
| currency-5(6)-Norethindrone Acetate,
|
| Complexity | 695 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.463g/mol |
| Monoisotopic Mass | 340.204g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number