trichlorothiazide

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:133-67-5

mdl number:mfcd00057315

einecs number:205-118-8

rtecs number:dk8925000

brn number:none

pubchem number:24899924

physical property data

none yet

toxicological data

acute toxicity data:

men’s oral tdlo: 3320 ug/kg/7w-i

rat’s oral ld50: 5600mg/kg

rat intravenous ld50: 920mg/kg

mouse oral ld50: 2600mg/kg

mouse intraperitoneal ld50: 540mg/kg

mouse intravenous ld50 : 750mg/kg

other multiple dose data:

mammalian dog tdlo: 182mg/kg/1y-i

mutagenicity data:

rodent-hamster fibroblasts: 750mg/l

rodent-hamster lung: 560mg/l

ecological data

none yet

molecular structure data

1. molar refractive index: 76.97

2. molar volume (cm³/mol): 217.6

3. isotonic specific volume (90.2k): 607.1

4. surface tension (dyne/cm): 60.5

5. polarizability (10-24cm3): 30.51

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 7

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 135

7. number of heavy atoms: 20

8. surface charge: 0

9. complexity: 571

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet