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AO-774/41465534 is available in 2207 mg

Compound details
Formula:		C27 H44 O5
Weight:		448.64
Chiral info:		Compound is marked as Chiral
Name:		3,7-Dihydroxycholan-24-oic acid, Derivative of
SMILES:		[H]C13(CC(O)CCC1(C)C4([H])(CCC2(C)(C(CCC2([H])C4([H])(C(C3)OC(C)=O))C(C)CCC(=O)OC)))
InChI^TM:		InChI=1S/C27H44O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(29)14-18(26)15-23(25)32-17(2)28/h16,18-23,25,29H,6-15H2,1-5H3
InChIKey^TM:		PMJBQFRZSVOFFB-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		356 mg/Kg
Chronic LOAEL:		5 mg/Kg
Developmental Toxicity Potential:		0.99

Chemical properties calculations
LogP:	Could not be calculated	H-acceptors: 5
LogS:	Could not be calculated	H-donors: 1
tPSA:	72.83 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.