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Basic Information
CAS No.: 528-97-2
Name: 2-(diethylamino)ethyl 4-(butylamino)salicylate monohydrochloride
Molecular Structure:
Molecular Structure of 528-97-2 (2-(diethylamino)ethyl 4-(butylamino)salicylate monohydrochloride)
Formula: C17H28 N2 O3 . Cl H
Molecular Weight: 344.93
Synonyms: Benzoicacid, 4-(butylamino)-2-hydroxy-, 2-(diethylamino)ethyl ester, monohydrochloride(9CI); Ethanol, 2-diethylamino-, 4-butylaminosalicylate, hydrochloride (6CI);Salicylic acid, 4-(butylamino)-, 2-(diethylamino)ethyl ester, monohydrochloride(8CI); Bronchiocain; Bronchocain; Bronchocaine; Paraesin; S 650; Wofacain A;p-Butylaminosalicylic acid diethylaminoethyl ester hydrochloride
Density: g/cm3
Boiling Point: 440.9°Cat760mmHg
Flash Point: 220.5°C
Safety: A poison via intraperitoneal, subcutaneous, and intravenous routes. A severe eye irritant. See also AMINES and ESTERS. When heated to decomposition, it emits very toxic fumes of NOx and HCl.
PSA: 78.60000
LogP: 3.94480
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Chemistry

Empirical Formula of Bronchocain (CAS NO.528-97-2): C17H29ClN2O3
Molecular Weight: 344.8768 
EINECS: 208-447-5
Flash Point: 220.5 °C
Enthalpy of Vaporization: 72.5 kJ/mol
Boiling Point: 440.9 °C at 760 mmHg
Vapour Pressure: 2.19E-08 mmHg at 25 °C
Structure of Bronchocain (CAS NO.528-97-2):
                            
IUPAC Name: 2-Diethylaminoethyl 5-(butylamino)-2-hydroxybenzoate hydrochloride
Canonical SMILES: CCCCNC1=CC(=C(C=C1)O)C(=O)OCCN(CC)CC.Cl
InChI: InChI=1S/C17H28N2O3.ClH/c1-4-7-10-18-14-8-9-16(20)15(13-14)17(21)22-12-11-19(5-2)6-3;/h8-9,13,18,20H,4-7,10-12H2,1-3H3;1H
InChIKey: WZQHUXOIBFWXDT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 2% SEV

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),708.
2.    

ipr-rat LD50:62 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 1 (1951),218.
3.    

ipr-mus LD50:12 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 1 (1951),218.
4.    

scu-mus LD50:120 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),708.
5.    

ivn-mus LD50:16 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 1 (1951),218.

Safety Profile

A poison via intraperitoneal, subcutaneous, and intravenous routes. A severe eye irritant. See also AMINES and ESTERS. When heated to decomposition, Bronchocain (CAS NO.528-97-2) emits very toxic fumes of NOx and HCl.

Specification

 Bronchocain , its cas register number is 528-97-2. It also can be called 4-(Butylamino)salicylic acid 2-(diethylamino)ethyl ester hydrochloride ; Bronchocaine ; and 2-(Diethylamino)ethyl 4-(butylamino)salicylate monohydrochloride .