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Cycloguanil hydrochloride

CAT: 0931-T5420-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5420-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152-53-4
Target
Parasite, Drug Metabolite
Related Pathways
Metabolism, Microbiology/Virology
Purity
0.9946
Bioactivity
Cycloguanil hydrochloride (Chloroguanide Triazine) is an active metabolite of the antimalarial compound proguanil. It acts as an inhibitor of dihydrofolate reductase (Kis: 0.3 and 1.5 nM for Plasmodium and human forms, respectively) .
Smiles
Cl.CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1
Molecular Formula
C11H14ClN5.ClH
Molecular Weight
288.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cycloguanil hydrochloride

Cycloguanil hydrochloride is the hydrochloride salt of cycloguanil. It is a hydrochloride and an organic molecular entity. It contains a cycloguanil.

CAS Number152-53-4
PubChem CID9048
IUPAC Name1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
Molecular FormulaC11H15Cl2N5
Molecular Weight288.17
Topological Polar Surface Area80
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity355
SMILES
CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl
InChI
InChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H
InChIKey
MOUAPRKJJUXEIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cycloguanil hydrochloride
CAS: 152-53-4
CID: 9048
Formula: C11H15Cl2N5
MW: 288.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.17
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass287.0704509
Monoisotopic Mass287.0704509
Topological Polar Surface Area80 Ų
Heavy Atom Count18
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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