IUPAC Name: 2-(Benzo[c]acridin-7-ylazaniumyl)ethyl-(2-chloroethyl)-ethylazanium dichloride
Synonyms of 7-(2-(Ethyl-2-chloroethyl)aminoethylamino)benz(c)acridine dihydrochloride (CAS NO.4310-69-4): 1,2-Ethanediamine, N'-benz(c)acridin-7-yl-N-(2-chloroethyl)-N-ethyl-, dihydrochloride (9CI) ; Benz(c)acridine, 7-(2-(2-chloroethylethylamino)ethylamino)-, dihydrochloride
CAS NO: 4310-69-4
Molecular Formula: C23H26Cl3N3
Molecular Weight: 450.8316
Molecular Structure:
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 12.89 Å2
Flash Point: 290.5 °C
Enthalpy of Vaporization: 83.84 kJ/mol
Boiling Point: 556.8 °C at 760 mmHg
Vapour Pressure: 1.97E-12 mmHg at 25°C
InChI: InChI=1/C23H24ClN3.2ClH/c1-2-27(15-13-24)16-14-25-22-19-9-5-6-10-21(19)26-23-18-8-4-3-7-17(18)11-12-20(22)23;;/h3-12H,2,13-16H2,1H3,(H,25,26);2*1H
InChIKey: KDNHEJRYJDHLCJ-UHFFFAOYAH
Std. InChI: InChI=1S/C23H24ClN3.2ClH/c1-2-27(15-13-24)16-14-25-22-19-9-5-6-10-21(19)26-23-18-8-4-3-7-17(18)11-12-20(22)23;;/h3-12H,2,13-16H2,1H3,(H,25,26);2*1H
Std. InChIKey: KDNHEJRYJDHLCJ-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD20 | intraperitoneal | 3823ug/kg (3.823mg/kg) | Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972. | |
mouse | LDLo | intravenous | 4500ug/kg (4.5mg/kg) | Cancer Research. Vol. 36, Pg. 2423, 1976. |
Poison by intravenous route. Questionable carcinogen with experimental neoplastigenic data. When 7-(2-(Ethyl-2-chloroethyl)aminoethylamino)benz(c)acridine dihydrochloride (CAS NO.4310-69-4) is heated to decomposition, it emits very toxic fumes of NOx and Cl−.
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