aldosterone

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
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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.

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