aldosterone – Pu catalyst

Structural formula

Business number	015F
Molecular formula	C21H28O5
Molecular weight	360.44
label	aldosterone, aldosterone, aldosterone, 11β,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al, 11β,21-Dihydroxypregn-4-ene-3,18,20-trione, 18-Aldocorticosterone, Reichstein X, Electrocortin, 4-Pregnen-18-al-11β,21-diol-3,20-dione

Numbering system

CAS number:52-39-1

MDL number:MFCD00051136

EINECS number:200-139-9

RTECS number:TU4523000

BRN number:3224996

PubChem ID:None

Physical property data

1. Properties: The hydrated substance is colorless crystal.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 108~112℃ (the melting point of anhydrous is 164℃). 5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/ mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water ( Log value of the partition coefficient (octanol/water): Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/ V): Undetermined

19. Solubility: Soluble in ethanol, ether and chloroform, slightly soluble in water.

Toxicological data

1. Mutagenicity: Mutation test system – not other specifiedTEST system: non-mammalian cells – not otherwise specified: 70nmol/L; Rat intravenous DNA damage test: 23mg/kg; DNA synthesis test: 23mg/kg

Ecological data

None yet

Molecular structure data

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Hydrogen bond acceptorNumber: 5

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 20

6. Topological molecule polar surface area 91.7

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 682

10. Isotopes Number of atoms: 0

11. Determine the number of atomic stereocenters: 7

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds Number of stereocenters: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

Seal and store at 0-4ºC.

Synthesis method

None yet

Purpose

1. Biochemical research. Induces the urinary excretion of potassium ions and the kidneys to absorb sodium ions.