1-(3,4-Dichlorophenyl)-5-isopropylbiguanide - CAS 537-21-3
Catalog: |
BB028338 |
Product Name: |
1-(3,4-Dichlorophenyl)-5-isopropylbiguanide |
CAS: |
537-21-3 |
Synonyms: |
(1E)-1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine; (1E)-1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine |
IUPAC Name: | 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine |
Description: | 1-(3,4-Dichlorophenyl)-5-isopropylbiguanide (CAS# 537-21-3) is a metabolite of Chlorproguanil, which is an antimalarial agent used in combination with Dapsone (D193250). |
Molecular Weight: | 288.18 |
Molecular Formula: | C11H15Cl2N5 |
Canonical SMILES: | CC(C)N=C(N)N=C(N)NC1=CC(=C(C=C1)Cl)Cl |
InChI: | InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18) |
InChI Key: | ISZNZKHCRKXXAU-UHFFFAOYSA-N |
LogP: | 3.91670 |
Publication Number | Title | Priority Date |
US-10980756-B1 | Methods of treatment | 20200316 |
WO-2021096897-A1 | Antimicrobial and antiviral, biologically active polymer composites effective against sars-cov-2 and other viral, bacterial and fungal targets, and related methods, materials, coatings and devices | 20191112 |
US-2021115065-A1 | Compounds and compositions for the treatment of parasitic diseases | 20191021 |
WO-2021078120-A1 | Compounds and compositions for the treatment of parasitic diseases | 20191021 |
WO-2021078412-A1 | Fractal formulations | 20191021 |
PMID | Publication Date | Title | Journal |
22546009 | 20120710 | Glucose-6-phosphate dehydrogenase deficiency, chlorproguanil-dapsone with artesunate and post-treatment haemolysis in African children treated for uncomplicated malaria | Malaria journal |
22087077 | 20111101 | A head-to-head comparison of four artemisinin-based combinations for treating uncomplicated malaria in African children: a randomized trial | PLoS medicine |
21914160 | 20110913 | Review of the clinical pharmacokinetics of artesunate and its active metabolite dihydroartemisinin following intravenous, intramuscular, oral or rectal administration | Malaria journal |
21849081 | 20110817 | Frequency of glucose-6-phosphate dehydrogenase deficiency in malaria patients from six African countries enrolled in two randomized anti-malarial clinical trials | Malaria journal |
20970278 | 20110220 | Formation and identification of a degradant in chlorproguanil-dapsone-artesunate (Dacartâ„¢) tablets | Journal of pharmaceutical and biomedical analysis |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.0704509 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.0704509 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 3 |
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