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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:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
human | TDLo | intramuscular | 75ug/kg (0.075mg/kg) | BEHAVIORAL: EUPHORIA BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | Psychopharmacologia Vol. 3, Pg. 219, 1962. |
human | TDLo | intramuscular | 130ug/kg (0.13mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: TOXIC PSYCHOSIS | Proceedings of the European Society for the Study of Drug Toxicity. Vol. 8, Pg. 59, 1967. |
human | TDLo | intraperitoneal | 37ug/kg (0.037mg/kg) | SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: NAUSEA OR VOMITING | Journal of Nervous and Mental Disease. Vol. 131, Pg. 428, 1960. |
human | TDLo | oral | 60ug/kg (0.06mg/kg) | SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: NAUSEA OR VOMITING | Journal of Nervous and Mental Disease. Vol. 131, Pg. 428, 1960. |
mouse | LD50 | intraperitoneal | 420mg/kg (420mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 159, 1968. |
mouse | LD50 | intravenous | 275mg/kg (275mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 159, 1968. |
rabbit | LD50 | intravenous | 13mg/kg (13mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 138, 1972. | |
rat | LD50 | intravenous | 280mg/kg (280mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 138, 1972. |