520-52-5

EPA Genetic Toxicology Program.

 The Psilocybine, with the CAS registry number 520-52-5,is also known as 3-(2-(Dimethylamino)ethyl)-1H-indol-4-ol dihydrogen phosphate ester. It belongs to the product categories of Intermediates & Fine Chemicals;Pharmaceuticals.This chemical's molecular formula is C₁₂H₁₇N₂O₄P and molecular weight is 284.25. What's more,Its systematic name is Psilocybine.It is Crystallin Solid ,which is the major of two hallucinogenic components of Teonanacatl, the sacred mushroom of Mexico, the other component being psilocin.

Physical properties about Psilocybine are:
(1)ACD/LogP:  0.72; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  -1.78; (4)ACD/LogD (pH 7.4):  -1.95; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  1.00; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  6; (10)#H bond donors:  3; (11)#Freely Rotating Bonds:  5; (12)Index of Refraction:  1.645; (13)Molar Refractivity:  73.054 cm³; (14)Molar Volume:  201.61 cm³; (15)Surface Tension:  66.1719970703125 dyne/cm; (16)Density:  1.41 g/cm³; (17)Flash Point:  270.369 °C; (18)Enthalpy of Vaporization:  83.913 kJ/mol; (19)Boiling Point:  523.443 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=P(O)(O)Oc1cccc2c1c(cn2)CCN(C)C;
(2)Std. InChI:InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17);
(3)Std. InChIKey:QVDSEJDULKLHCG-UHFFFAOYSA-N.

Safety Information of Psilocybine:
Poison by intravenous route. Moderately toxic by intraperitoneal route. Human systemic effects by ingestion and intraperitoneal routes: euphoria, hallucinations, toxic psychosis, muscle weakness, nausea or vomiting, visual field changes. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and POx.

The toxicity data of Psilocybine as follows: