tuberculin

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:69-33-0

mdl number:mfcd00056012

einecs number:200-703-4

rtecs number:uy8870000

brn number:38498

pubchem number:24899902

physical property data

1. character:white needle crystal

2. density (g/ml,25/4℃): unsure

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

4. melting point (ºc):247～248℃ (decomposition)

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):-67 º, c=1,50%acetic acid

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

11. vapor pressure (kpa,25ºc): unsure

12. saturated vapor pressure (kpa,60ºc): unsure

13. heat of combustion (kj/mol): unsure

14. critical temperature (ºc): unsure

15. critical pressure (kpa): unsure

16. oil and water (octanol/log value of water) partition coefficient: uncertain

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

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

19. solubility:1gsoluble in330mlwater, 200mlmethanol and2000mlin ethanol, insoluble in acetone , ethyl acetate, chloroform, benzene and petroleum ether

toxicological data

acute toxicity: rat oral ld50: 16 mg/kg; rat abdominal cavity ld50 : 1 mg/kg;

mouse oral ld50: 28320 ug/kg; mouse abdominal cavity ld50: 6 mg/kg;

mouse veinld50: 45 ug/kg; dog oral ldlo：48 mg/kg; dog veinldlo: 48 mg/kg;
mutagenic: mouse leukocytesdna suppress test system:5400 ug/l;mouse leukocyte change test system: 290 ug/l;
  mouse abdominal cavitydominant lethal test：500 ug/kg;rabbit kidneydna suppression test system:18ug/l;
 rabbit kidneydnachange test system (test system not unless otherwise specified):30 ug/l;

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 61.51

2. molar volume (m³/mol）：139.5

3. isotonic specific volume (90.2k):431.6

4. surface tension (dyne/cm):91.5

5. polarizability（10^-24cm³): 24.38

compute chemical data

1. hydrophobic parameters calculate reference value (xlogp）：-1.3

2. hydrogen bonding number of donors: 4

3. hydrogen bonding number of receptors: 7

4. rotatable number of chemical bonds: 2

5. interchange number of isomers: 4

6. topological molecular polarity surface area (tpsa): 127

7. heavy atoms quantity: 19

8. surface charge ：0

9. complexity ：334

10. isotope atomic number:0

11. determine the number of atomic stereocenters:4

12. uncertain number of atomic stereocenters:0

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

none

storage method

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

synthesis method

none

purpose

to mycobacterium tuberculosisbcgminimum inhibitory concentration micless than1μg/ml, 5μg/mlsuppress micenfsarcoma cells, inhibit sarcoma in animals180, ehrlich ascites carcinoma is also responsible for pyroplasma oryzae and candida albicans there is a weak inhibitory effect.

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