Molecule structure of Tolonidine nitrate (CAS NO.57524-15-9) :
IUPAC Name: N-(2-chloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine; nitric acid
Molecular Weight: 272.68822 g/mol
Molecular Formula: C10H13ClN4O3
Boiling Point: 314 °C at 760 mmHg
Flash Point: 143.7 °C
Enthalpy of Vaporization: 55.51 kJ/mol
Vapour Pressure: 0.000478 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 272.067618
MonoIsotopic Mass: 272.067618
Topological Polar Surface Area: 99.8
Heavy Atom Count: 18
Complexity: 254
Canonical SMILES: CC1=CC(=C(C=C1)NC2=NCCN2)Cl.[N+](=O)(O)[O-]
InChI: InChI=1S/C10H12ClN3.HNO3/c1-7-2-3-9(8(11)6-7)14-10-12-4-5-13-10;2-1(3)4/h2-3,6H,4-5H2,1H3,(H2,12,13,14);(H,2,3,4)
InChIKey: SEIGDXGATKHXKR-UHFFFAOYSA-N
EINECS of Tolonidine nitrate (CAS NO.57524-15-9) : 260-785-2
1. | orl-rat LD50:420 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 25 (1975),1926. | ||
2. | ivn-rat LD50:42 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 25 (1975),1926. | ||
3. | orl-mus LD50:160 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 25 (1975),1926. | ||
4. | ivn-mus LD50:18,500 µg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 25 (1975),1926. |
Poison by ingestion and intravenous routes. Used as an antihypertensive agent. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also NITRATES.
Tolonidine nitrate (CAS NO.57524-15-9) is also called 2-(2-Chloro-p-toluidino)-2-imidazoline nitrate ; CERM 10,137 ;
Euctan ; 1H-Imidazol-2-amine, 4,5-dihydro-N-(2-chloro-4-methylphenyl)-, mononitrate ; N-(2-Chloro-p-tolyl)-4,5-dihydro-1H-imidazol-2-amine mononitrate .
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