16alpha-(Methylthio)progesterone
(8S,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-16-methylsulfanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: tirilazad of tirilazad|16A- PROGESTERONE|16A-(METHYLTHIO)PROGESTERONE|16alpha-(Methylthio)progesterone|16.alpha.-(Methylthio)progesterone|Progesterone, 16.alpha.-(methylthio)-|Pregn-4-ene-3, 16.alpha.-(methylthio)-|Pregn-4-ene-3,20-dione, 16alpha-(methylthio)-|Pregn-4-ene-3,20-dione, 16.alpha.-(methylthio)-|(16alpha)-16-(methylsulfanyl)pregn-4-ene-3,20-dione|(8S,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-16-methylsulfanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C22H32O2S |
|---|---|
| Molecular Weight | 360.2123 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.2123 |
| Monoisotopic Mass | 360.2123 |
| Heavy Atoms | 25 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 36237-86-2 |
|---|---|
| SMILES | CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)SC |
| InChIKey | MTOGCFGVYHTEAT-QQYXXPEKSA-N |
Product Overview
16alpha-(Methylthio)progesterone (CAS 36237-86-2), with molecular formula C22H32O2S and molecular weight 360.2123 g/mol. IUPAC: (8S,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-16-methylsulfanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.