The Molecular Structure of Alloclamide hydrochloride (CAS NO.5107-01-7):
Molecular Formula: C16H24Cl2N2O2
Molecular Weight: 347.279960 g/mol
Classification: Drug / Therapeutic Agent
IUPAC: 4-chloro-N-(2-diethylaminoethyl)-2-prop-2-enoxybenzamide hydrochloride
Nominal Mass: 346 Da
Average Mass: 347.28 Da
Monoisotopic Mass: 346.121483 Da
ACD/LogP: 3.61
Flash Point: 215 °C
Enthalpy of Vaporization: 68.76 kJ/mol
Boiling Point: 431.9 °C at 760 mmHg
Vapour Pressure: 1.16E-07 mmHg at 25°C
InChI: InChI=1/C16H23ClN2O2.ClH/c1-4-11-21-15-12-13(17)7-8-14(15)16(20)18-9-10-19(5-2)6-3;/h4,7-8,12H,1,5-6,9-11H2,2-3H3,(H,18,20);1H
Smiles: C(c1c(cc(cc1)Cl)OCC=C)(=O)NCCN(CC)CC.Cl
1. | orl-mus LD50:746 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 4 (1973),90. | ||
2. | scu-mus LD50:155 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 4 (1973),90. | ||
3. | ivn-mus LD50:61 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 4 (1973),90. | ||
4. | ivn-dog LDLo:50 mg/kg | JJPAAZ Japanese Journal of Pharmacology. 16 (1966),342. |
Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl.
Alloclamide hydrochloride (CAS NO.5107-01-7) is also called as 2-Allyloxy-4-chloro-N-(2-(diethylamino)ethyl)benzamide hydrochloride ; Alloclamide HCl ; EINECS 225-830-2 ; Hexacol ; 2-(Allyloxy)-4-chloro-N-(2-(diethylamino)ethyl)benzamide monohydrochloride ; Benzamide, 2-allyloxy-4-chloro-N-(2-(diethylamino)ethyl)-, hydrochloride .
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