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AG-777/36178017 is available in 4971 mg

Compound details
MDL #:		MFCD01926659
Formula:		C18 H21 N O4
Weight:		315.37
Chiral info:		Not available
Name:		benzyl 2-(3,4-dimethoxyphenyl)ethylcarbamate
SMILES:		COc2ccc(CCNC(=O)OCc1ccccc1)cc2(OC)
InChI^TM:		InChI=1S/C18H21NO4/c1-21-16-9-8-14(12-17(16)22-2)10-11-19-18(20)23-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKey^TM:		QDXJIFRAWNDNJJ-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		6770 mg/Kg
Chronic LOAEL:		13 mg/Kg
AMES Mutagenicity:		0.01
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	3.51	H-acceptors: 3
LogS:	-4.5	H-donors: 1
tPSA:	56.79 Å²	Rotatable bonds: 9

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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.