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Antazoline hydrochloride

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Name

Antazoline hydrochloride

EINECS 219-719-8
CAS No. 2508-72-7 Density N/A
PSA 27.63000 LogP 3.26130
Solubility Soluble in ethanol (200 mg/ 4.0 ml-clear, colorless solution) Melting Point 238 °C
Formula C17H19N3 .HCl Boiling Point 475.5 °C at 760 mmHg
Molecular Weight 301.819 Flash Point 241.4 °C
Transport Information N/A Appearance White or almost white crystalline powder
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 2508-72-7 (Antazoline hydrochloride) Hazard Symbols IrritantXi; HarmfulXn
Synonyms

1H-Imidazole-2-methanamine,4,5-dihydro-N-phenyl-N-(phenylmethyl)-, monohydrochloride (9CI);2-Imidazoline,2-[(N-benzylanilino)methyl]-, monohydrochloride (8CI);2-(N-Benzylanilinomethyl)-2-imidazoline hydrochloride;5512M;Antastan;Antasten;Antazoline chloride;Antihistal;Antistin;Antistina;Antistine hydrochloride;Azalone;Ben-a-hist;Dibistin;Fenazolina;Histazine;Histostab;Imidamine;Phenazoline hydrochloride;

 

Antazoline hydrochloride Synthetic route

2508-72-7

antazoline hydrochloride

A

15539-77-2

4-nitrobenzyl nitrate

B

489-98-5

picramide

C

95711-93-6

N,2,4,6-Tetranitro-N-(2-nitrobenzyl)-anilin

D

95711-94-7

N,2,4,6-Tetranitro-N-(3-nitrobenzyl)-anilin

E

95711-95-8

N,2,4,6-Tetranitro-N-(4-nitrobenzyl)-anilin

F

555-16-8

4-nitrobenzaldehdye

Conditions
ConditionsYield
With nitric acid Product distribution;

Antazoline hydrochloride Specification

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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