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Ethylhydrocupreine hydrochloride

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Name

Ethylhydrocupreine hydrochloride

EINECS N/A
CAS No. 3413-58-9 Density N/A
PSA 45.59000 LogP 4.52720
Solubility N/A Melting Point 121-123°C
Formula C21H28 N2 O2 . Cl H Boiling Point 508.7oC at 760 mmHg
Molecular Weight 376.97 Flash Point 261.5oC
Transport Information N/A Appearance N/A
Safety Poison by unspecified route. Moderately toxic by subcutaneous route. Human systemic effects by intravenous route: visual field changes and arteriolar constriction. An antiseptic. When heated to decomposition it emits very toxic fumes such as Cl and NOx. Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3413-58-9 (ETHYLHYDROCUPREINE HYDROCHLORIDE) Hazard Symbols Xi
Synonyms

Hydrocupreine,O6'-ethyl-, monohydrochloride (8CI); Ethylhydrocupreine hydrochloride; NSC5361; Neumolisina; Numoquin hydrochloride; O-Ethylhydrocupreine hydrochloride;Optochin hydrochloride

 

Ethylhydrocupreine hydrochloride Chemical Properties

IUPAC Name: (R)-(6-ethoxyquinolin-4-yl)-[(5R,7S)-5-ethyl-1-azabicyclo[2.2.2]octan-7-yl]methanol hydrochloride 
Empirical Formula: C21H29ClN2O2
Molecular Weight: 376.9202 
EINECS: 208-333-5
Product Categories: Miscellaneous
Flash Point: 275.8 °C
Enthalpy of Vaporization: 85.06 kJ/mol
Boiling Point: 532.4 °C at 760 mmHg
Vapour Pressure: 3.66E-12 mmHg at 25°C
Canonical SMILES: CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCC)O.Cl
Isomeric SMILES: CC[C@H]1CN2CCC1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OCC)O.Cl
InChI: InChI=1S/C21H28N2O2.ClH/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-
22-19-6-5-16(25-4-2)12-18(17)19;/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,
13H2,1-2H3;1H/t14-,15?,20-,21+;/m0./s1
InChIKey: QNRATNLHPGXHMA-GBZKOJAPSA-N
Structure of Ethylhydrocupreine hydrochloride (CAS NO.3413-58-9):

Ethylhydrocupreine hydrochloride Toxicity Data With Reference

1.    

ivn-man TDLo:31 mg/kg/3D:EYE,CVS

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 8 (1916),53.
2.    

scu-mus LDLo:500 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 8 (1916),53.
3.    

unr-frg LDLo:300 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 8 (1916),53.

Ethylhydrocupreine hydrochloride Safety Profile

Hazard Codes:Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36-26 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: MW6300000
F: 8
Poison by unspecified route. Moderately toxic by subcutaneous route. Human systemic effects by intravenous route: visual field changes and arteriolar constriction. An antiseptic. When heated to decomposition it emits very toxic fumes such as Cl and NOx.

Ethylhydrocupreine hydrochloride Specification

 Ethylhydrocupreine hydrochloride , its cas register number is 3413-58-9. It also can be called EINECS 222-302-3 ; 
 Ethylhydrocupreine HCl ; Ethylhydrocupreine hydrochloride ; Hydrocupreine, O-6'-ethyl-, monohydrochloride (VAN) ; 
 Hydrocupreine, O-ethyl-, hydrochloride ; Hydrocupreine, ethyl ester, hydrochloride ; NSC 5361 ; Neumolisina ; Numoquin hydrochloride ; Optochin hydrochloride ; Rhombic . Ethylhydrocupreine hydrochloride (CAS NO.3413-58-9) is irritating to eyes, respiratory system and skin. So you should avoid contact it with skin and eyes and wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

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