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Benznidazol

CAT: 0931-T4982-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T4982-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22994-85-0
Target
Parasite, Antibiotic
Related Pathways
Microbiology/Virology
Purity
>99.99%
Bioactivity
Benznidazol (Benznidazole) e has an antiprotozoal activity by interfering with parasite protein biosynthesis, influencing cytokines production and stimulating host phagocytosis.
Smiles
[O-][N+](=O)c1nccn1CC(=O)NCc1ccccc1
Molecular Formula
C12H12N4O3
Molecular Weight
260.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benznidazole

Benznidazole is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease. It has a role as an antiprotozoal drug. It is a member of imidazoles, a monocarboxylic acid amide and a C-nitro compound.

CAS Number22994-85-0
PubChem CID31593
IUPAC NameN-benzyl-2-(2-nitroimidazol-1-yl)acetamide
Molecular FormulaC12H12N4O3
Molecular Weight260.25
XLogP0.9
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity325
SMILES
C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-]
InChI
InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)
InChIKey
CULUWZNBISUWAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benznidazole
CAS: 22994-85-0
CID: 31593
Formula: C12H12N4O3
MW: 260.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.25
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass260.09094026
Monoisotopic Mass260.09094026
Topological Polar Surface Area92.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity325
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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