Trichlorothiazide structural formula

Trichlorothiazide structural formula

Structural formula

Business number 03P6
Molecular formula C8H8Cl3N3O4S2
Molecular weight 380.66

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


None yet

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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