2-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid
[17-[N-(carbamoylamino)-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Pregnenolone acetate semicarbazone|2-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid|Pregn-5-en-20-one, 3-(acetyloxy)-, 2-(aminocarbonyl)hydrazone, (3.EC.)-|[17-[N-(carbamoylamino)-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C24H37N3O3 |
|---|---|
| Molecular Weight | 415.28348 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.28348 |
| Monoisotopic Mass | 415.28348 |
| Heavy Atoms | 30 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 6192-83-2 |
|---|---|
| SMILES | CC(=NNC(=O)N)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | GFJOPLHDGOHLPB-UHFFFAOYSA-N |
Product Overview
2-[3-(Acetyloxy)pregn-5-en-20-ylidene]hydrazine-1-carboximidic acid (CAS 6192-83-2), with molecular formula C24H37N3O3 and molecular weight 415.28348 g/mol. IUPAC: [17-[N-(carbamoylamino)-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.