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Chemical structure of Benznidazole

GC32326

Benznidazole

Also listed as Benznidazol (Ro 07-1051)

Benznidazol (Ro 07-1051) (Ro 07-1051) is an antiparasitic medication, with an IC50 of 20·35 μM for Colombian T

ChemicalCAS22994-85-0MW260.25FormulaC12H12N4O3
CAS number
22994-85-0
Molecular weight
260.25
Formula
C12H12N4O3
Solubility
DMSO : 160 mg/mL (614·79 mM)
InChIKey
CULUWZNBISUWAS-UHFFFAOYSA-N
Catalogue number
GC32326
Brand
GLPBIO
Computed properties PubChem CID 31593 · XLogP 0.9 · TPSA 92.7 Ų · H-bond donors 1
XLogP
0.9
TPSA
92.7 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

SMILES C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-]

Computed descriptors from PubChem (CID 31593), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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