11-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione
4-[[(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-4-oxobutanoic acid
Also Known As: Progesterone 11-hemisuccinate|progesterone11-hemisuccinate|11 alpha-hemisuccinyl-progesterone|11alpha-Hydroxyprogesterone hemisuccinate|ERK5-6F12|11alpha-Hemisuccinyl-progesterone|11-hydroxyprogesterone hemisuccinate|PROG ESTERONE 11-HEMISUCCINATE|11-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione|11-(4-Hydroxy-4-oxobutanoyloxy)progesterone|J1.676.300D|11alpha-Hydroxy-4-pregnene-3,20-dione-11-hemisuccinate|11 alpha-hydroxy-4-pregnene-3,20-dione-11-hemisuccinate|11-[(2-Carboxyethyl)carbonyloxy]pregna-4-ene-3,20-dione|4-[(3,20-dioxopregn-4-en-11-yl)oxy]-4-oxobutanoic acid|4-{[(11|A)-3,20-dioxopregn-4-en-11-yl]oxy}-4-oxobutanoic acid|Pregn-4-ene-3,20-dione, 11-(3-carboxy-1-oxopropoxy)-|4-[[(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-4-oxobutanoic acid|4-{[(1S,3aS,3bS,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-yl]oxy}-4-oxobutanoic acid
| Molecular Formula | C25H34O6 |
|---|---|
| Molecular Weight | 430.23553 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.23553 |
| Monoisotopic Mass | 430.23553 |
| Heavy Atoms | 31 |
| Complexity | 843.0 |
Chemical Identifiers
| CAS Number | 6370-75-8 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)O)C |
| InChIKey | JBBNFGYRYNBDIH-RMIGRTJDSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione (CAS 6370-75-8), with molecular formula C25H34O6 and molecular weight 430.23553 g/mol. IUPAC: 4-[[(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-4-oxobutanoic acid.