Primaquine bisphosphate - CAS 63-45-6
Catalog: |
BB032156 |
Product Name: |
Primaquine bisphosphate |
CAS: |
63-45-6 |
Synonyms: |
4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid |
Application: |
Antimalarials |
IUPAC Name: | 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid |
Description: | Primaquine is the only generally available anti-malarial that prevents relapse in vivax and ovale malaria, and the only potent gametocytocide in falciparum malaria. |
Molecular Weight: | 455.34 |
Molecular Formula: | C15H21N3O · 2H3PO4 |
Canonical SMILES: | CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O.OP(=O)(O)O |
InChI: | InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4) |
InChI Key: | GJOHLWZHWQUKAU-UHFFFAOYSA-N |
Boiling Point: | 451.1 ℃ at 760 mmHg |
Purity: | > 98 % |
MDL: | MFCD01457187 |
LogP: | 1.69880 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113493391-A | Preparation method and crystal structure of superfine salbutamol phosphate | 20210817 |
CN-113354602-A | Method for preparing 2-methyltetrahydrofuran by furfural hydrogenation in one step | 20210611 |
CN-113248431-A | Preparation method of primaquine phosphate | 20210521 |
CN-112871172-A | Method for preparing 2-methyltetrahydrofuran catalyst by gas phase hydrogenation of 2-methylfuran | 20210203 |
CN-213253074-U | Improved 2-methylfuran rectification system | 20200904 |
PMID | Publication Date | Title | Journal |
30650322 | 20190117 | Single-Dose Tafenoquine to Prevent Relapse of Plasmodium vivax Malaria | The New England journal of medicine |
30650326 | 20190117 | Tafenoquine versus Primaquine to Prevent Relapse of Plasmodium vivax Malaria | The New England journal of medicine |
26477383 | 20160805 | Development of HepG2-derived cells expressing cytochrome P450s for assessing metabolism-associated drug-induced liver toxicity | Chemico-biological interactions |
25921416 | 20150429 | Tafenoquine for preventing relapse in people with Plasmodium vivax malaria | The Cochrane database of systematic reviews |
24360369 | 20140322 | Tafenoquine plus chloroquine for the treatment and relapse prevention of Plasmodium vivax malaria (DETECTIVE): a multicentre, double-blind, randomised, phase 2b dose-selection study | Lancet (London, England) |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 455.12225344 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 12 |
Hydrogen Bond Donor Count: | 8 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 455.12225344 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 216 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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