10967/142 - QDB Compounds

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Franke, R.; Gruska, A.; Giuliani, A.; Benigni, R. Prediction of rodent carcinogenicity of aromatic amines: a quantitative structure-activity relationships model. Carcinogenesis 2001, 22, 1561–1571.

Compound

ID:54
Name:3,3',4,4'-Tetraaminobiphenyl tetrahydrochloride
Description:Changed name from the original 3,3',4,4'-Tetraaminobiphenyl · 4HCl to 3,3',4,4'-Tetraaminobiphenyl tetrahydrochloride. The authors most likely used the cation for the calculations.
Labels:
CAS:7411-49-6
InChi Code:InChI=1S/C12H14N4.4ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;/h1-6H,13-16H2;4*1H

Properties

Carcinogenicity: Class: C - Carcinogenic, nC -non-Carcinogenic

ValueSource or prediction
C

experimental value

C

Eq.5: Carcinogenic class of aromatic amines (Training set.)

Potency: Carcinogenic potency as log(MW/TD50) [log((mol/kg)/TD50)]

ValueSource or prediction
30.11309

experimental value

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