demeclocycline hydrochloride demeclocycline hydrochloride

structural formula

• 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:64-73-3

mdl number:none

einecs number:200-592-2

rtecs number:qi7700000

brn number:5705221

pubchem id:none

physical property data

1. appearance: powder

2. density (g/ml,25/4℃): unsure

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc):>245°c (dec.)

5. boiling point (ºc,normal pressure): uncertain

6. boiling point (ºc, 5.2kpa): unsure

7. refractive index:not sure

8. flash point (ºc): unsure

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºc): unsure

12.17. explosion limit (%,v/v) : unsure

18. lower explosion limit (%,v/v): unsure

19. solubility:h₂o: 20 mg/ml, clear, very deep greenish yellow

toxicological data

acute toxicity: population test ldlo：69 mg/kg/4d-i; rat mouth scriptld50：2372 mg/kg;large mouse vein ld50: 94 mg/kg;
mouse oral administration ld50: 2150 mg/kg; mouse intravenous ld50: 275 mg/kg;
reproduction: rat uterustdlo：50 mg/kgsex/duration: female 1 day(s) pre-mating;
womenunknown pathtdlo ：48 ug/kgsex/duration: female 28 weeks(s) after conception;

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: 7

3. number of hydrogen bond acceptors: 9

4. number of rotatable chemical bonds: 2

5. number of tautomers: 132

6. topological molecular polar surface area 182

7. number of heavy atoms: 33

8. surface charge: 0

9. complexity: 961

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 5

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 2

properties and stability

none yet

storage method

this product should be sealed and stored in a cool, dry place away from light.

synthesis method

none yet

purpose

none yet

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mouse oral administration ld50: 2150 mg/kg; mouse intravenous ld50: 275 mg/kg;
reproduction: rat uterustdlo：50 mg/kgsex/duration: female 1 day(s) pre-mating;
womenunknown pathtdlo ：48 ug/kgsex/duration: female 28 weeks(s) after conception;

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: 7

3. number of hydrogen bond acceptors: 9

4. number of rotatable chemical bonds: 2

5. number of tautomers: 132

6. topological molecular polar surface area 182

7. number of heavy atoms: 33

8. surface charge: 0

9. complexity: 961

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 5

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 2

properties and stability

none yet

storage method

this product should be sealed and stored in a cool, dry place away from light.

synthesis method

none yet

purpose

none yet

number of centers: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 2

properties and stability

none yet

storage method

this product should be sealed and stored in a cool, dry place away from light.

synthesis method

none yet

purpose

none yet