Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.

Compound

	ID:	133
	Name:	(3beta)-3-[[3-[3-[bis(2-chloroethyl)amino]phenyl]-1-oxo-2-propenyl]oxy]-17a-aza-d-homoandrost-5-en-1
	Description:
	Labels:
	CAS:	147151-67-5
	InChi Code:	InChI=1S/C32H42Cl2N2O3/c1-31-14-12-25(39-30(38)11-6-22-4-3-5-24(20-22)36(18-16-33)19-17-34)21-23(31)7-8-26-27(31)13-15-32(2)28(26)9-10-29(37)35-32/h3-7,11,20,25-28H,8-10,12-19,21H2,1-2H3,(H,35,37)/b11-6+

Properties

AMES: Ames test mutagenicity class

Value	Source or prediction
mutagen	experimental value
mutagen	Eq6: Model for α,β-unsaturated carbonyl compounds (Training set)