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AP-123/40765218 is available in 89 mg

Compound details
Formula:		C19 H21 N O4
Weight:		327.38
Chiral info:		Not available
Name:		Spinosine
SMILES:		COc1cc2CCN3Cc4cc(O)c(O)cc4(CC3(c2(cc1(OC))))
InChI^TM:		InChI=1S/C19H21NO4/c1-23-18-8-11-3-4-20-10-13-7-17(22)16(21)6-12(13)5-15(20)14(11)9-19(18)24-2/h6-9,15,21-22H,3-5,10H2,1-2H3
InChIKey^TM:		VAKIESMDOCVMDV-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		2890 mg/Kg
Chronic LOAEL:		3.48 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	2.71	H-acceptors: 1
LogS:	-2.32	H-donors: 2
tPSA:	62.16 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.