4-(Carboxymethylmercapto)testosterone
2-[[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]sulfanyl]acetic acid
Also Known As: 4-Cmmt|4-(Carboxymethylmercapto)testosterone|KST-1B8190|[(17-Hydroxy-3-oxoandrost-4-en-4-yl)sulfanyl]acetic acid|{[(8xi,9xi,14xi,17|A)-17-hydroxy-3-oxoandrost-4-en-4-yl]sulfanyl}acetic acid|2-[[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]sulfanyl]acetic acid|Acetic acid, (((17beta)-17-hydroxy-3-oxoandrost-4-en-4-yl)thio)-|{[(8xi,9xi)-17beta-Hydroxy-3-oxo-14xi-androst-4-en-4-yl]sulfanyl}acetic acid
| Molecular Formula | C21H30O4S |
|---|---|
| Molecular Weight | 378.1865 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.1865 |
| Monoisotopic Mass | 378.1865 |
| Heavy Atoms | 26 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 7357-42-8 |
|---|---|
| SMILES | C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)SCC(=O)O |
| InChIKey | XJAHBTGAKFTOBY-YYDIIAORSA-N |
Product Overview
4-(Carboxymethylmercapto)testosterone (CAS 7357-42-8), with molecular formula C21H30O4S and molecular weight 378.1865 g/mol. IUPAC: 2-[[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]sulfanyl]acetic acid.