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AO-774/41465379 is available in 3 mg

Compound details
Formula:		C21 H33 N2 O2
Weight:		345.5
Salt Data:		Cl-
Chiral info:		Compound is marked as Chiral
Name:		3,21-Dihydroxypregnan-20-one, derivative of
SMILES:		[H]C34(CCC1([H])(C([H])(CCC2(C)(C([H])(CCC12([H]))C(=O)C[N+]#N))C4(C)(CCC(O)C3)))
InChI^TM:		InChI=1S/C21H33N2O2/c1-20-9-7-14(24)11-13(20)3-4-15-16-5-6-18(19(25)12-23-22)21(16,2)10-8-17(15)20/h13-18,24H,3-12H2,1-2H3/q+1
InChIKey^TM:		SWWDJUPGDNKHJJ-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		138 mg/Kg
Chronic LOAEL:		1 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	4.55	H-acceptors: 3
LogS:	-4.59	H-donors: 1
tPSA:	65.45 Å²	Rotatable bonds: 2

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.