antazoline hydrochloride
A
4-nitrobenzyl nitrate
B
picramide
C
N,2,4,6-Tetranitro-N-(2-nitrobenzyl)-anilin
D
N,2,4,6-Tetranitro-N-(3-nitrobenzyl)-anilin
E
N,2,4,6-Tetranitro-N-(4-nitrobenzyl)-anilin
F
4-nitrobenzaldehdye
Conditions | Yield |
---|---|
With nitric acid Product distribution; |
The Antazoline hydrochloride, with the CAS registry number 2508-72-7 and EINECS registry number 219-719-8, has the systematic name of N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline hydrochloride (1:1). It is a kind of white or almost white crystalline powder, and belongs to the product category of Histamine receptor. And the molecular formula of this chemical is C17H19N3 .HCl. What's more, it is a kind of anticholinergic drug with anesthetic effect, and often used for antianaphylaxis and antiarrhythmia.
The physical properties of Antazoline hydrochloride are as following: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 12.82; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 58.39; (8)ACD/KOC (pH 7.4): 63.75; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.84 Å2; (13)Flash Point: 241.4 °C; (14)Enthalpy of Vaporization: 73.9 kJ/mol; (15)Boiling Point: 475.5 °C at 760 mmHg; (16)Vapour Pressure: 3.31E-09 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. 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: Cl.N\1=C(\NCC/1)CN(c2ccccc2)Cc3ccccc3
(2)InChI: InChI=1/C17H19N3.ClH/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H
(3)InChIKey: SWKDMSRRIBZZAY-UHFFFAOYAV
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 30mg/kg (30mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: IRRITABILITY GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 10, Pg. 338, 1951. |
guinea pig | LD50 | intravenous | 17100ug/kg (17.1mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 113, Pg. 313, 1958. |
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