Molecule structure of Piperocaine hydrochloride (CAS NO.533-28-8) :
IUPAC Name: 3-(2-methylpiperidin-1-yl)propyl benzoate hydrochloride
Molecular Weight: 297.82026 g/mol
Molecular Formula: C16H24ClNO2
Density: 1.029 g/cm3
Boiling Point: 372.3 °C at 760 mmHg
Flash Point: 127.6 °C
Index of Refraction: 1.515
Molar Refractivity: 76.63 cm3
Molar Volume: 253.8 cm3
Polarizability: 30.38×10-24 cm3
Surface Tension: 36.6 dyne/cm
Enthalpy of Vaporization: 61.94 kJ/mol
Vapour Pressure: 9.71E-06 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 297.149557
MonoIsotopic Mass: 297.149557
Topological Polar Surface Area: 29.5
Heavy Atom Count: 20
Complexity: 274
Canonical SMILES: CC1CCCCN1CCCOC(=O)C2=CC=CC=C2.Cl
InChI: InChI=1S/C16H23NO2.ClH/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15;/h2-4,9-10,14H,5-8,11-13H2,1H3;1H
InChIKey of Piperocaine hydrochloride (CAS NO.533-28-8) : ZXSGQNYQJIUMQN-UHFFFAOYSA-N
1. | eye-rbt 2% MOD | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),708. | ||
2. | ipr-rat LD50:120 mg/kg | JLCMAK Journal of Laboratory and Clinical Medicine. 15 (1930),731. | ||
3. | scu-rat LD50:1300 mg/kg | MEIEDD Merck Index. 10 (1983),1078. | ||
4. | ivn-rat LD50:20 mg/kg | MEIEDD Merck Index. 10 (1983),1078. | ||
5. | ipr-mus LD50:182 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 94 (1948),299. | ||
6. | scu-mus LD50:450 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),708. | ||
7. | ivn-mus LD50:18,200 µg/kg | TXAPA9 Toxicology and Applied Pharmacology. 1 (1956),454. | ||
8. | scu-cat LDLo:200 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 24 (1925),167. | ||
9. | scu-rbt LDLo:300 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 24 (1925),167. | ||
10. | ivn-rbt LD50:28 mg/kg | JLCMAK Journal of Laboratory and Clinical Medicine. 15 (1930),731. | ||
11. | &nb |
A poison by intraperitoneal, intravenous, subcutaneous, and intraspinal routes. An eye irritant. Used as a local anesthetic. An FDA over-the-counter drug. When heated to decomposition it emits very toxic fumes of NOx and HCl.
Piperocaine hydrochloride (CAS NO.533-28-8) is also called (+-)-gamma-(2-Methylpiperidyl)propyl benzoate hydrochloride ; 2-Methyl-1-piperidinepropanol benzoate hydrochloride ; 3-(2-Methylpiperidino)propyl benzoate hydrochloride ; 3-Benzoxy-1-(2-methylpiperidino)propane hydrochloride ; Benzoic acid, 3-(2-methylpiperidino)propyl ester,
hydrochloride ; Benzoyl-gamma-(2-methylpiperidino)propanol hydrochloride ; C 2091 ; Metycaine hydrochloride ; Neothesin hydrochloride ; Piperocaine HCl ; Piperocainium chloride ; UNII-Q2RH0XR1MB ; dl-(2-Methylpiperidino)propyl benzoate hydrochloride ; o-Aminobenzoyl di(isopropylamino)ethanol, hydrochloride .
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