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61-12-1

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Basic Information
CAS No.: 61-12-1
Name: Dibucaine Hydrochloride
Molecular Structure:
Molecular Structure of 61-12-1 (Dibucaine Hydrochloride)
Formula: C20H30ClN3O2
Molecular Weight: 379.98
Synonyms: 4-Quinolinecarboxamide,2-butoxy-N-[2-(diethylamino)ethyl]-, monohydrochloride (9CI);Cinchoninamide,2-butoxy-N-[2-(diethylamino)ethyl]-, monohydrochloride (8CI);2-Butoxy-N-(2-diethylaminoethyl)cinchoninamide hydrochloride;2-Butoxy-N-(2-diethylaminoethyl)cinchoninic acid amide hydrochloride;2-n-Butoxy-N-(2-diethylaminoethyl)cinchoninamide hydrochloride;Benzolin (local anesthetic);Cincaine;Cincaine chloride;Cinchocainehydrochloride;Cinchocainium chloride;Nupercainehydrochloride;Percain;Percaine;Percamin S;Sovcain;Sovcaine;
EINECS: 200-498-1
Density: 1.071g/cm3
Melting Point: 99-101 °C(lit.)
Boiling Point: 496.3 °C at 760 mmHg
Flash Point: 254 °C
Solubility: Freely soluble in water, alcohol, acetone, or chloroform
Appearance: white powder
Hazard Symbols: HarmfulXn
Risk Codes: 22-41
Safety: 26-39
PSA: 54.46000
LogP: 4.67820
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Chemistry

Empirical Formula: C20H30ClN3O2
Molecular Weight: 379.924100 g/mol 
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 10
Polar Surface Area: 42.43Å2
Flash Point: 254 °C
Enthalpy of Vaporization: 76.41 kJ/mol
Boiling Point: 496.3 °C at 760 mmHg
Vapour Pressure: 5.46E-10 mmHg at 25°C
EINECS: 200-498-1
Melting point: 99-101 °C(lit.)
Merck: 13,3057
Stability: Stable. Incompatible with strong oxidizing agents. Protect from moisture
Classification Code: Anesthetic [local]; Drug / Therapeutic Agent; Mutation data; Skin / Eye Irritant
InChI
InChI=1/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H
Smiles
c12c(cc(OCCCC)nc1cccc2)C(NCC[NH+](CC)CC)=O.[ClH-]
Following is the molecular structure of Dibucaine Hydrochloride (CAS NO.61-12-1):

Uses

  Dibucaine Hydrochloride (CAS NO.61-12-1) is used  as Potent, long-acting local anesthetic. As a pethidine,  it does not cause convulsions, although it produces the standard opioid side effects such as sedation and respiratory depression.

Production

  Dibucaine Hydrochloride (CAS NO.61-12-1) is formed by 2 - hydroxy-quinoline carboxylic acid by chlorination, condensation, ether-based, into a salt to be Cinchocaine.

Toxicity Data With Reference

1.    

eye-rbt 2% SEV

    ARZNAD    Arzneimittel-Forschung. Drug Research. 8 (1958),181.
2.    

dnd-esc 15 µmol/L

    MUREAV    Mutation Research. 89 (1981),95.
3.    

ipr-rat LD50:30 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 103 (1951),306.
4.    

scu-rat LD50:27 mg/kg

    DRUGAY    Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews .(ADIS Press Ltd.,Wanchai, Hong Kong.: )1990,478.
5.    

ivn-rat LD50:52 mg/kg

    DRUGAY    Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews .(ADIS Press Ltd.,Wanchai, Hong Kong.: )1990,478.
6.    

ipr-mus LD50:29 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 94 (1948),299.
7.    

scu-mus LD50:25,400 µg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 103 (1960),353.
8.    

ivn-mus LD50:5151 µg/kg

    JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 44 (1955),393.
9.    

scu-rbt LDLo:5 mg/kg

    ODFU**    Vergleichende pharmakologische Prufung Zweier neuer Lokalanas-thetika: Perkain und Pantokain, Wilhelm Ost Dissertation .(Pharmakologischen Institut der Universitat zu Frankfurt am Ma

Safety Profile

Poison by ingestion, subcutaneous, intravenous, intraspinal, parenteral, and intraperitoneal routes. Mutation data reported. A severe eye irritant. A local anesthetic. When heated to decomposition it emits very toxic fumes of HCl and NOx
Safety Information of Dibucaine Hydrochloride (CAS NO.61-12-1):
Hazard Codes: Xn
Xn: Harmful 
Risk Statements: 22-41
22: Harmful if swallowed 
41: Risk of serious damage to eyes 
Safety Statements: 26-39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
39: Wear eye/face protection 
WGK Germany: 3
RTECS: GD3325000

Specification

  Dibucaine Hydrochloride , with CAS number of 61-12-1, can be called 2-Butoxy-N-(2-(diethylamino)ethyl)cinchoninamide monohydrochloride ; 2-Butoxy-N-(2-diethylaminoethyl)cinchoninamide hydrochloride ; 2-Butoxy-N-(2-diethylaminoethyl)cinchoninic acid amide hydrochloride ; 2-N-Butoxy-N-(2-diethylaminoethyl)cinchoninamide hydrochloride ; 4-Quinolinecarboxamide, 2-butoxy-N-(2-(diethylamino)ethyl)-, monohydrochloride ; Benzolin (local anesthetic) ; Butoxycinchoninic acid diethylethylenediamide hydrochloride ; Cincaine chloride ; Dibucaine HCl . It is a white powder.