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
