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| CAS No.: | 69343-45-9 |
|---|---|
| Name: | 3-(benzoyloxy)-8-methyl-2-(propoxycarbonyl)-8-azoniabicyclo[3.2.1]octane chloride |
| Molecular Structure: | |
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| Formula: | C19H25NO4•ClH |
| Molecular Weight: | 367.91 |
| Density: | g/cm3 |
| Boiling Point: | 422.3°Cat760mmHg |
| Flash Point: | 209.2°C |
| Safety: | Poison by intraperitoneal, intravenous, and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of NOx and HCl. |
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Chemistry
IUPAC Name: propyl 3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate chloride
Empirical Formula: C19H26ClNO4
Molecular Weight: 367.867g/mol
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 7
Exact Mass: 367.155036
MonoIsotopic Mass: 367.155036
Topological Polar Surface Area: 57
Heavy Atom Count: 25
Formal Charge: 0
Complexity: 460
Flash Point: 209.2 °C
Enthalpy of Vaporization: 67.64 kJ/mol
Boiling Point: 422.3 °C at 760 mmHg
Vapour Pressure: 2.45E-07 mmHg at 25°C
Canonical SMILES: CCCOC(=O)C1C2CCC([NH+]2C)CC1OC(=O)C3=CC=CC=C3.[Cl-]
InChI: InChI=1S/C19H25NO4.ClH/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13;/h4-8,14-17H,3,9-12H2,1-2H3;1H
InChIKey: ROEIOKRMKFGKTA-UHFFFAOYSA-N
Structure of Neopsicaine hydrochloride (CAS NO.69343-45-9):
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Toxicity Data With Reference
| 1. | eye-rbt 2% MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),181. | ||
| 2. | ipr-rat LD50:41 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),181. | ||
| 3. | ipr-mus LD50:57 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),181. | ||
| 4. | scu-mus LD50:200 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 8 (1958),181. | ||
| 5. | ivn-mus LDLo:20 mg/kg | WDMU** Vergleichend-pharmakologische Untersuchungen uber die haemolytische Wirkung und die Toxizitat der Lokalanaesthetika, Martin Walther Dissertation .(Pharmakologischen Institut der Martin Luther-Universitat Halle-Wittenburg,Germany.: 1936). | ||
| 6. | scu-gpg LDLo:50 mg/kg | FDHU** Uber die lokalanasthetischen Eigenschaften des salzsauren Salzes des Benzoyl-d-ekgonin-n-propylesters, Gerda Felgner Dissertation .(Pharmakologischen Institut der Martin-Luther-Universitat Halle-Wittenburg,Germany.: 1933). |
Safety Profile
Poison by intraperitoneal, intravenous, and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of NOx and HCl.
Specification
Neopsicaine hydrochloride , its cas register number is 69343-45-9. It also can be called Neopsicaine HCl ; Psicain-neu hydrochloride ; Psicaine-neu hydrochloride . Neopsicaine hydrochloride (CAS NO.69343-45-9) will cause an eye irritant. When heated to decomposition it emits very toxic fumes of NOx and HCl.