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| CAS No.: | 316-05-2 |
|---|---|
| Name: | mepacrine mesilate |
| Molecular Structure: | |
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| Formula: | N/A |
| Molecular Weight: | 592.23 |
| Synonyms: | Quinacrine methanesulfonate; 1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, dimethanesulfonate; Mepacrine dimethanesulfonate salt; Mepacrine methanesulfonate; Musonal; Quinacrine, dimethanesulfonate (6CI); Acridine, 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxy-, dimethanesulfonate; Mepacrine mesilate; N~4~-(2-chloro-7-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine methanesulfonate (1:2) |
| EINECS: | 206-256-1 |
| Boiling Point: | 557.1°C at 760 mmHg |
| Flash Point: | 290.7°C |
| Hazard Symbols: |
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| Safety: | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−. |
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Chemistry
Molecule structure of Quinacrine methanesulfonate (CAS NO.316-05-2):
IUPAC Name: 4-N-(2-Chloro-7-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine; methanesulfonic acid
Molecular Weight: 592.16812 g/mol
Molecular Formula: C25H38ClN3O7S2
Boiling Point: 557.1 °C at 760 mmHg
Flash Point: 290.7 °C
Enthalpy of Vaporization: 83.88 kJ/mol
Vapour Pressure: 1.9E-12 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 10
Rotatable Bond Count: 9
Tautomer Count: 2
Exact Mass: 591.18397
MonoIsotopic Mass: 591.18397
Topological Polar Surface Area: 146
Heavy Atom Count: 38
Complexity: 554
Canonical SMILES: CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)Cl.CS(=O)(=O)O.CS(=O)(=O)O
InChI: InChI=1S/C23H30ClN3O.2CH4O3S/c1-5-27(6-2)13-7-8-16(3)25-23-19-14-17(24)9-11-21(19)26-22-12-10-18(28-4)15-20(22)23;2*1-5(2,3)4/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H3,(H,2,3,4)
InChIKey: WWVNAZRWEIACFQ-UHFFFAOYSA-N
EINECS of Quinacrine methanesulfonate (CAS NO.316-05-2): 206-256-1
Toxicity Data With Reference
| 1. | add-unr-lym 510 nmol/L | JMCMAR Journal of Medicinal Chemistry. 21 (1978),658. |
Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
Specification
Quinacrine methanesulfonate (CAS NO.316-05-2) is also named as 1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)- ; N1,N1-diethyl-, dimethanesulfonate ; Mepacrine dimethanesulfonate salt ; Mepacrine methanesulfonate ; Musonal ; Quinacrine, dimethanesulfonate (6CI) ; Acridine, 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxy-, dimethanesulfonate ; Mepacrine mesilate .