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AG-690/10375044 is available in 37 mg

Compound details
MDL #:		MFCD00752970
Formula:		C24 H31 N O5
Weight:		413.51
Chiral info:		Not available
Name:		ethyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SMILES:		CCOC(=O)C3=C(C)NC=1CC(C)(C)CC(=O)C=1C3(c2ccc(OCC)c(c2)OC)
InChI^TM:		InChI=1S/C24H31NO5/c1-7-29-18-10-9-15(11-19(18)28-6)21-20(23(27)30-8-2)14(3)25-16-12-24(4,5)13-17(26)22(16)21/h9-11,21,25H,7-8,12-13H2,1-6H3
InChIKey^TM:		MENSXWIBVPEJIZ-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1440 mg/Kg
Chronic LOAEL:		209 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	4.78	H-acceptors: 4
LogS:	-5.29	H-donors: 1
tPSA:	73.86 Å²	Rotatable bonds: 7

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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.