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| CAS No.: | 78110-37-9 |
|---|---|
| Name: | 6-CHLORO-9-((2-((2-CHLOROETHYL)AMINO) ETHYL)AMINO)-2-METHOXYACRIDINE 2-HYDROCHLORIDE SESQUIHYDRATE |
| Molecular Structure: | |
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| Formula: | C18H19Cl2N3O•2ClH•3/2H2O |
| Molecular Weight: | 464.21 |
| Safety: | Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and Cl−. |
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Chemistry
IUPAC Name: N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)ethane-1,2-diaminetrihydrate tetrahydrochloride
Empirical Formula: C36H48Cl8N6O5
Molecular Weight: 928.4275g/mol
Structure of 6-Chloro-9-((2-((2-chloroethyl)amino)ethyl)amino)-2-methoxyacridine 2HCl sesquihydrate (CAS NO.78110-37-9):
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Flash Point: 296.6 °C
Enthalpy of Vaporization: 85.11 kJ/mol
Boiling Point: 566.8 °C at 760 mmHg
Vapour Pressure: 7.23E-13 mmHg at 25°C
Classification Code: Drug / Therapeutic Agent, Mutation data
Canonical SMILES: COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCCl.COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCCl.O.O.O.Cl.Cl.Cl.Cl
InChI: InChI=1S/2C18H19Cl2N3O.4ClH.3H2O/c2*1-24-13-3-5-16-15(11-13)18(22-9-8-21-7-6-19)14-4-2-12(20)10-17(14)23-16;;;;;;;/h2*2-5,10-11,21H,6-9H2,1H3,(H,22,23);4*1H;3*1H2
InChIKey: LSWRXBLBKNTCQO-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mmo-sat 5 µg/plate | JMCMAR Journal of Medicinal Chemistry. 15 (1972),739. | ||
| 2. | ipr-mus LD20:186 mg/kg | JMCMAR Journal of Medicinal Chemistry. 15 (1972),739. |
Safety Profile
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
Specification
6-Chloro-9-((2-((2-chloroethyl)amino)ethyl)amino)-2-methoxyacridine 2HCl sesquihydrate , its cas register number is 78110-37-9. It also can be called Acridine, 6-chloro-9-((2-((2-chloroethyl)amino)ethyl)amino)-2-methoxy-, 2HCl, sesquihydrate .