Deoxycorticosterone Acetate

• Catalog Number: ACM56473
• Product Name: Deoxycorticosterone Acetate
• CAS: 56-47-3
• Category: Steroidal Compounds
• Synonyms: [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
• IUPAC Name: [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]acetate
• Molecular Weight: 372.50
• Molecular Formula: C23H32O4
• Canonical SMILES: CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
• InChI Key: VPGRYOFKCNULNK-ACXQXYJUSA-N
• Boiling Point: 504.1ºC at 760 mmHg
• Melting Point: 157ºC
• Flash Point: 218ºC
• Density: 1.14 g/cm³
• Appearance: White solid
• EC Number: 200-275-9
• Exact Mass: 372.23000
• Packing Group: II
• Safety Description: S22-S24/25
• Stability: Stable at normal temperatures and pressures.
• WGK Germany: 3

Custom Q&A

What is the molecular formula of deoxycorticosterone acetate?

The molecular formula of deoxycorticosterone acetate is C23H32O4.

What is the molecular weight of deoxycorticosterone acetate?

The molecular weight of deoxycorticosterone acetate is 372.5 g/mol.

What is the IUPAC name of deoxycorticosterone acetate?

The IUPAC name of deoxycorticosterone acetate is [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.

What is the InChIKey of deoxycorticosterone acetate?

The InChIKey of deoxycorticosterone acetate is VPGRYOFKCNULNK-ACXQXYJUSA-N.

What is the canonical SMILES of deoxycorticosterone acetate?

The canonical SMILES of deoxycorticosterone acetate is CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C).

What is the CAS number of deoxycorticosterone acetate?

The CAS number of deoxycorticosterone acetate is 56-47-3.

What is the UNII of deoxycorticosterone acetate?

The UNII of deoxycorticosterone acetate is 6E0A168OB8.

What is the ChEMBL ID of deoxycorticosterone acetate?

The ChEMBL ID of deoxycorticosterone acetate is CHEMBL1200542.

What is the hydrogen bond donor count of deoxycorticosterone acetate?

The hydrogen bond donor count of deoxycorticosterone acetate is 0.

What is the topological polar surface area of deoxycorticosterone acetate?

The topological polar surface area of deoxycorticosterone acetate is 60.4Ų.