Molecule structure of Denzimol hydrochloride (CAS NO.77234-90-3):
IUPAC Name: 2-Imidazol-1-yl-1-(4-phenethylphenyl)ethanol hydrochloride
Molecular Weight: 328.83584 g/mol
Molecular Formula: C19H21ClN2O
Boiling Point: 504.8 °C at 760 mmHg
Flash Point: 259.1 °C
Enthalpy of Vaporization: 81.53 kJ/mol
Vapour Pressure: 5.21E-11 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 328.134241
MonoIsotopic Mass: 328.134241
Topological Polar Surface Area: 38
Heavy Atom Count: 23
Complexity: 309
Canonical SMILES: C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(CN3C=CN=C3)O.Cl
InChI: InChI=1S/C19H20N2O.ClH/c22-19(14-21-13-12-20-15-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16;/h1-5,8-13,15,19,22H,6-7,14H2;1H
InChIKey: RBDNRYIXZOBPMV-UHFFFAOYSA-N
EINECS: 278-643-3
Classification Code of Denzimol hydrochloride (CAS NO.77234-90-3): Drug / Therapeutic Agent
1. | ipr-rat LD50:332 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 33 (1983),1155. | ||
2. | ivn-rat LD50:22 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 33 (1983),1155. | ||
3. | orl-mus LD50:434 mg/kg | JMCMAR Journal of Medicinal Chemistry. 24 (1981),727. | ||
4. | ipr-mus LD50:246 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 33 (1983),1168. | ||
5. | ivn-mus LD50:46 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 33 (1983),1168. | ||
6. | ivn-rbt LD50:22,400 µg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 33 (1983),1168. |
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl.
Denzimol hydrochloride (CAS NO.77234-90-3) is also named as N-(beta-(4-(beta-Phenylethyl)phenyl)-beta-hydroxyethyl)imidazole hydrochloride ; REC 15-1533 ; alpha-(p-Phenethylphenyl)-1-imidazoleethanol monohydrochloride ; Imidazole-1-ethanol, alpha-(p-phenethylphenyl)-, monohydrochloride .
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