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| Name |
Chlorbenzoxyethamine dihydrochloride |
EINECS | N/A |
| CAS No. | 5576-62-5 | Density | 1.144g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
197-200° |
| Formula | C27H31 Cl N2 O . 2 Cl H | Boiling Point | 534.2°Cat760mmHg |
| Molecular Weight | 507.97 | Flash Point | 276.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Piperazine,1-[2-[(2-chlorophenyl)phenylmethoxy]ethyl]-4-[(2-methylphenyl)methyl]-,dihydrochloride (9CI); Piperazine, 1-[2-[(o-chloro-a-phenylbenzyl)oxy]ethyl]-4-(o-methylbenzyl)-,dihydrochloride (6CI,7CI,8CI); Antiulcera Master; Chlorbenzoxaminedihydrochloride; Chlorbenzoxyethamine dihydrochloride; Gastomax; Libratar; NSC169098 |
Chlorbenzoxyethamine dihydrochloride Chemical Properties
IUPAC Name: 1-[2-[(2-Chlorophenyl)-phenylmethoxy]ethyl]-4-[(2-methylphenyl)methyl]piperazine dihydrochloride
Following is the structure of Chlorbenzoxyethamine dihydrochloride (CAS NO.5576-62-5):
Empirical Formula: C27H33Cl3N2O
Molecular Weight: 507.9227 g/mol
EINECS: 226-951-3
Flash Point: 276.9 °C
Enthalpy of Vaporization: 81.04 kJ/mol
Boiling Point: 534.2 °C at 760 mmHg
Vapour Pressure of Chlorbenzoxyethamine dihydrochloride (CAS NO.5576-62-5): 1.72E-11 mmHg at 25 °C
Canonical SMILES: CC1=CC=CC=C1CN2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4Cl.Cl.Cl
InChI: InChI=1S/C27H31ClN2O.2ClH/c1-22-9-5-6-12-24(22)21-30-17-15-29(16-18-30)19-20-31-27(23-10-3-2-4-11-23)25-13-7-8-14-26(25)28;;/h2-14,27H,15-21H2,1H3;2*1H
InChIKey: ZTACEXAAXMFRGD-UHFFFAOYSA-N
Chlorbenzoxyethamine dihydrochloride Toxicity Data With Reference
| 1. | orl-rat LD50:3350 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 118 (1959),167. | ||
| 2. | ivn-rat LD50:66 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 118 (1959),167. | ||
| 3. | orl-mus LD50:1400 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 118 (1959),167. |
Chlorbenzoxyethamine dihydrochloride Safety Profile
Poison by intravenous route. Moderately is toxic by ingestion. When heated to decomposition, Chlorbenzoxyethamine dihydrochloride (CAS NO.5576-62-5) emits very toxic fumes of NOx and Cl−.
Chlorbenzoxyethamine dihydrochloride Specification
Chlorbenzoxyethamine dihydrochloride , its cas register number is 5576-62-5. It also can be called 1-(2-(o-Chloro-alpha-phenylbenzyloxy)ethyl)-4-o-methylbenzylpiperazine dihydrochloride ; Antiulcera master ; Chlorbenzoxamine HCl ; Chlorbenzoxamine dihydrochloride ; Chlorbenzoxamine hydrochloride ; Chlorobenzoxamin dihydrochloride; Chlorobenzoxamine dihydrochloride ; Libratar dihydrochloride ; and Gastomax . Its classification code is Drug / Therapeutic Agent.
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