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