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| CAS No.: | 1446-17-9 |
|---|---|
| Name: | Chloroquinine phosphate |
| Molecular Structure: | |
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|
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| Formula: | C18H26ClN3•H3O4P |
| Molecular Weight: | 417.92 |
| Synonyms: | Chloroquinine phosphate |
| Density: | g/cm3 |
| Boiling Point: | 460.6°Cat760mmHg |
| Flash Point: | 232.3°C |
| Safety: | Human poison by ingestion. Human systemic effects by ingestion: muscle weakness. A human teratogen. Human reproductive effects: termination of pregnancy; developmental abnormalities of the eye, ear, and musculoskeletal system; and effects on newborn and postnatal development. Moderately toxic to humans by ingestion with musculoskeletal effects. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and POx. |
| PSA: | 115.73000 |
| LogP: | 3.95500 |
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Chemistry
Molecule structure of Araten phosphate (CAS NO.1446-17-9):
IUPAC Name: 4-N-(7-Chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; phosphoric acid
Molecular Weight: 417.867321 g/mol
Molecular Formula: C18H29ClN3O4P
Boiling Point: 460.6 °C at 760 mmHg
Flash Point: 232.3 °C
Enthalpy of Vaporization: 72.13 kJ/mol
Vapour Pressure: 1.15E-08 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 7
Rotatable Bond Count: 8
Tautomer Count: 3
Exact Mass: 417.158421
MonoIsotopic Mass: 417.158421
Topological Polar Surface Area: 106
Heavy Atom Count: 27
Complexity: 359
Canonical SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O
InChI: InChI=1S/C18H26ClN3.H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H3,1,2,3,4)
InChIKey of Araten phosphate (CAS NO.1446-17-9): AEUAEICGCMSYCQ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-hmn LDLo:43 mg/kg | JFSCAS Journal of Forensic Sciences. 5 (1965),201. | ||
| 2. | orl-wmn TDLo:2740 mg/kg/39 W:CNS | ARPAAQ Archives of Pathology. 93 (1972),209. | ||
| 3. | orl-chd LDLo:38 mg/kg | PEDIAU Pediatrics. 27 (1961),95. |
Safety Profile
Human poison by ingestion. Human systemic effects by ingestion: muscle weakness. A human teratogen. Human reproductive effects: termination of pregnancy; developmental abnormalities of the eye, ear, and musculoskeletal system; and effects on newborn and postnatal development. Moderately toxic to humans by ingestion with musculoskeletal effects. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and POx.
Specification
Araten phosphate (CAS NO.1446-17-9) is also named as Chloroquine, phosphate ; Chloroquinine phosphate ; UNII-7FY24HE2G3 ; 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:1)- ; Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, phosphate (1:1) .