trichlorothiazide
structural formula
| business number | 03p6 |
|---|---|
| molecular formula | c8h8cl3n3o4s2 |
| molecular weight | 380.66 |
| label |
aromatic compounds |
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
