Win 44577
(1S,2R,13S,14S,17R,18S,20S)-17-ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17,20-diol
Also Known As: Win 44577|Win-44577|2'-(4-Fluorophenyl)2'H-pregna-2,4-dien-20-yno(3,2c)pyrazol-11,17-diol|(1S,2R,13S,14S,17R,18S,20S)-17-Ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17,20-diol|2'H-Pregna-2,4-dien-20-yno(3,2-c)pyrazole-11,17-diol, 2'-(4-fluorophenyl)-, (11beta,17alpha)-|(1R,3aS,3bS,10aR,10bS,11S,12aS)-1-ethynyl-7-(4-fluorophenyl)-10a,12a-dimethyl-1,2,3,3a,3b,4,5,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,11-diol|1-Ethynyl-7-(4-fluorophenyl)-10a,12a-dimethyl-1,2,3,3a,3b,4,5,7,10,10a,10b,11,12,12a-tetradecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,11-diol
| Molecular Formula | C28H31FN2O2 |
|---|---|
| Molecular Weight | 446.23697 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.23697 |
| Monoisotopic Mass | 446.23697 |
| Heavy Atoms | 33 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 98640-98-3 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NN5C6=CC=C(C=C6)F)O |
| InChIKey | CPIBWHAJWLRDNO-JNIWZSOOSA-N |
Product Overview
Win 44577 (CAS 98640-98-3), with molecular formula C28H31FN2O2 and molecular weight 446.23697 g/mol. IUPAC: (1S,2R,13S,14S,17R,18S,20S)-17-ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-triene-17,20-diol.