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CAS No.: | 3413-58-9 |
---|---|
Name: | ETHYLHYDROCUPREINE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C21H28 N2 O2 . Cl H |
Molecular Weight: | 376.97 |
Synonyms: | Hydrocupreine,O6'-ethyl-, monohydrochloride (8CI); Ethylhydrocupreine hydrochloride; NSC5361; Neumolisina; Numoquin hydrochloride; O-Ethylhydrocupreine hydrochloride;Optochin hydrochloride |
Melting Point: | 121-123°C |
Boiling Point: | 508.7oC at 760 mmHg |
Flash Point: | 261.5oC |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
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. |
PSA: | 45.59000 |
LogP: | 4.52720 |
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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):
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. |
Hazard Codes: 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 , 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.