structural formula
| business number | 03ju |
|---|---|
| molecular formula | c13h16n2o2 |
| molecular weight | 232.28 |
| label |
triamperidone, trifenadone, fenacetate, aminoglumide, 3-ethyl-3-(4-aminophenyl)-2,6-piperidinedione, phenylethyl piperidone, dl-aminoglutethimide, inhibitors, inhibitor |
numbering system
cas number:125-84-4
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. character: white crystal, bitter taste
2. solubility: hardly soluble in water, easily soluble in organic solvents
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 64.58
2. moorevolume (m3/mol): 197.9
3. isotonic specific volume (90.2k):517.4
4. surface tension (dyne/cm):46.6
5. polarizability（10-24cm3):32.41
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp):6
2. number of hydrogen bond donors: 4
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 17
5. number of tautomers: 4
6. topological molecular polar surface area (tpsa):132
7. number of heavy atoms: 34
8. surface charge: 0
9. complexity: 684
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 17
5. number of tautomers: 4
6. topological molecular polar surface area (tpsa):132
7. number of heavy atoms: 34
8. surface charge: 0
9. complexity: 684
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. the number of uncertain atomic stereocenters: 4
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
basic properties: it inhibits the cleavage enzyme system that converts cholesterol into pregnenolone.
storage method
storage: store at room temperature.
synthesis method
brief description of production method: it is prepared from 2-p-chlorophenylbutanamide as raw material.
purpose
purpose: it is an adrenocortical hormone inhibitor and anti-cancer drug. also used in hypercortisolism and advanced breast cancer after menopause or oophorectomy
y: 宋体”>10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. the number of uncertain atomic stereocenters: 4
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
basic properties: it inhibits the cleavage enzyme system that converts cholesterol into pregnenolone.
storage method
storage: store at room temperature.
synthesis method
brief description of production method: it is prepared from 2-p-chlorophenylbutanamide as raw material.
purpose
purpose: it is an adrenocortical hormone inhibitor and anti-cancer drug. also used in hypercortisolism and advanced breast cancer after menopause or oophorectomy
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