N1-(4-Chlorophenyl)-N5-isopropylbiguanide - CAS 500-92-5
Catalog: |
BB026920 |
Product Name: |
N1-(4-Chlorophenyl)-N5-isopropylbiguanide |
CAS: |
500-92-5 |
Synonyms: |
proguanil; Chloroguanide; Paludrin; Bigumal; Proguanilum; 1-(p-Chlorophenyl)-5-isopropylbiguanide |
IUPAC Name: | (1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine |
Description: | A prophylactic antimalarial drug effective against sporozoites. |
Molecular Weight: | 253.73 |
Molecular Formula: | C11H16ClN5 |
Canonical SMILES: | CC(C)N=C(N)N=C(N)NC1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17) |
InChI Key: | SSOLNOMRVKKSON-UHFFFAOYSA-N |
Boiling Point: | 402.7 °C at 760 mmHg |
Melting Point: | 129 °C |
Purity: | > 95 % |
Density: | 1.29 g/cm3 |
Appearance: | Solid |
LogP: | 3.26330 |
Publication Number | Title | Priority Date |
US-10980756-B1 | Methods of treatment | 20200316 |
EP-3842100-A1 | Anti-malarial agents | 20191224 |
WO-2021123266-A1 | Anti-malarial agents | 20191220 |
WO-2021123121-A1 | Lipid-based compositions comprising lipophilic salts and acidic ph modifiers | 20191218 |
WO-2021123775-A2 | Engineered platelets for targeted delivery of a therapeutic agent | 20191217 |
PMID | Publication Date | Title | Journal |
28363637 | 20170601 | DSM265 for Plasmodium falciparum chemoprophylaxis: a randomised, double blinded, phase 1 trial with controlled human malaria infection | The Lancet. Infectious diseases |
24318747 | 20140101 | In vitro antiplasmodial activity of some medicinal plants of Burkina Faso | Parasitology research |
23841934 | 20130710 | Biological evaluation of hydroxynaphthoquinones as anti-malarials | Malaria journal |
23515079 | 20130320 | Quinolone-3-diarylethers: a new class of antimalarial drug | Science translational medicine |
21735454 | 20130101 | An alkaline comet assay study on the antimalarial drug atovaquone in human peripheral blood lymphocytes: a study based on clinically relevant concentrations | Journal of applied toxicology : JAT |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 253.1094232 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.1094232 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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