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Proguanil

CAT: 0127-OR1023875-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1023875-01Size:100 mg
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CAS Number
500-92-5
Synonyms
(1E) -1-[amino- (4-chloroanilino) methylidene]-2-propan-2-ylguanidine
Purity
97%
Smiles
CC(C)N=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl

Chemical Information

Proguanil

Proguanil is a biguanide compound which has isopropyl and p-chlorophenyl substituents on the terminal N atoms. A prophylactic antimalarial drug, it works by inhibiting the enzyme dihydrofolate reductase, which is involved in the reproduction of the malaria parasites Plasmodium falciparum and P. vivax within the red blood cells. It has a role as an antiprotozoal drug, an antimalarial and an EC 1.5.1.3 (dihydrofolate reductase) inhibitor. It is a member of biguanides and a member of monochlorobenzenes.

CAS Number500-92-5
PubChem CID6178111
IUPAC Name(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine
Molecular FormulaC11H16ClN5
Molecular Weight253.73
XLogP1.5
Topological Polar Surface Area88.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity292
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)
InChIKey
SSOLNOMRVKKSON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Proguanil
CAS: 500-92-5
CID: 6178111
Formula: C11H16ClN5
MW: 253.73
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.73
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass253.1094232
Monoisotopic Mass253.1094232
Topological Polar Surface Area88.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T22409-01Proguanil
T12545-01Proguanil D6
GL3057-10mgProguanil hydrochloride
HY-B0806S1Proguanil-d4
HY-B0806A-01Proguanil (hydrochloride)
AR-C02406-01Chlorguanide (Proguanil)
HY-B0806R-01Proguanil (Standard)
HY-B0806SProguanil-d6

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