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The Aminopyrine, with the CAS registry number 58-15-1 and EINECS registry number 200-365-8, has the systemaic name of 4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one. And the molecular formula of this chemical is C13H17N3O. It is an air & light sensitive chemical, and belongs to the product category of Miscellaneous.
The physical properties of Aminopyrine are as following: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 1.99; (6)ACD/BCF (pH 7.4): 2.22; (7)ACD/KOC (pH 5.5): 55.23; (8)ACD/KOC (pH 7.4): 61.51; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.79 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 68.33 cm3; (15)Molar Volume: 196 cm3; (16)Polarizability: 27.08×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 125.9 °C; (20)Enthalpy of Vaporization: 56.13 kJ/mol; (21)Boiling Point: 319.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000333 mmHg at 25°C.
Preparation of Aminopyrine: By the catalytic hydrogenation of Ampyrone, Aminopyrine crude product is obtained. Heat the crude product, ethanol and active carbon to a certain temperature, and the product is obtained after a series of decolourization, pressure filtration, cooling crystallization, washing and dryness.
Uses of Aminopyrine: With analgesic, anti-inflammatory, and antipyretic properties, it is used in medicine. What's more, a breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of cytochrome P-450 metabolic activity in liver function tests. It can be used as analytical reagent.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swalled. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C(=C(/N(N2c1ccccc1)C)C)N(C)C
(2)InChI: InChI=1/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
(3)InChIKey: RMMXTBMQSGEXHJ-UHFFFAOYAM
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | intravenous | 100mg/kg (100mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: NAUSEA OR VOMITING | Journal of Pharmacology and Experimental Therapeutics. Vol. 39, Pg. 177, 1930. |
cat | LDLo | oral | 100mg/kg (100mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 73, Pg. 312, 1941. | |
dog | LD50 | intravenous | 121mg/kg (121mg/kg) | BEHAVIORAL: ANALGESIA | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 149, Pg. 571, 1964. |
dog | LD50 | oral | 220mg/kg (220mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 719, 1971. |
frog | LDLo | parenteral | 900mg/kg (900mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 166, Pg. 437, 1932. |
guinea pig | LD50 | intravenous | 130mg/kg (130mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 88, Pg. 142, 1951. |
guinea pig | LD50 | oral | 910mg/kg (910mg/kg) | Schweizerische Medizinische Wochenschrift. Vol. 84, Pg. 351, 1954. | |
guinea pig | LDLo | subcutaneous | 250mg/kg (250mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 213, 1955. | |
hamster | LD50 | intraperitoneal | 380mg/kg (380mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1024, 1970. | |
mammal (species unspecified) | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | Farmatsevtichnii Zhurnal Vol. 29(2), Pg. 25, 1974. | |
man | LDLo | unreported | 220mg/kg (220mg/kg) | "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970. | |
mouse | LC50 | inhalation | 20410mg/m3 (20410mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 34(10), Pg. 36, 1969. | |
mouse | LD50 | intramuscular | 306mg/kg (306mg/kg) | BEHAVIORAL: ANALGESIA | Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 109, 1977. |
mouse | LD50 | intraperitoneal | 169mg/kg (169mg/kg) | Russian Pharmacology and Toxicology Vol. 35, Pg. 293, 1972. | |
mouse | LD50 | intravenous | 78mg/kg (78mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 1011, 1978. |
mouse | LD50 | oral | 300mg/kg (300mg/kg) | Pharmaceutical Chemistry Journal Vol. 30, Pg. 374, 1996. | |
mouse | LD50 | subcutaneous | 248mg/kg (248mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 494, 1977. | |
mouse | LD50 | unreported | 300mg/kg (300mg/kg) | Farmakologiya i Toksikologiya Vol. 39, Pg. 148, 1976. | |
rabbit | LD50 | intravenous | 80mg/kg (80mg/kg) | Bollettino Chimico Farmaceutico. Vol. 102, Pg. 602, 1963. | |
rabbit | LD50 | oral | 600mg/kg (600mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 1011, 1978. |
rabbit | LDLo | subcutaneous | 250mg/kg (250mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. | |
rat | LD50 | intramuscular | 340mg/kg (340mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 665, 1960. | |
rat | LD50 | intraperitoneal | 190mg/kg (190mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 68, Pg. 442, 1972. | |
rat | LD50 | intravenous | 98mg/kg (98mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 1011, 1978. |
rat | LD50 | oral | 285mg/kg (285mg/kg) | Russian Pharmacology and Toxicology Vol. 51, Pg. 183, 1988. | |
rat | LD50 | rectal | 310mg/kg (310mg/kg) | Pharmazie. Vol. 18, Pg. 807, 1963. | |
rat | LD50 | subcutaneous | 295mg/kg (295mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 229, 1958. |
rat | LD50 | unreported | 176mg/kg (176mg/kg) | Farmakologiya i Toksikologiya Vol. 39, Pg. 14, 1976. |