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Aconiazide

CAT: 0013-GTR19200605-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200605-01Size:25 mg
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Description
Aconiazide is a prodrug activated to release isoniazid, a first-line antitubercular agent. It is used in biochemical research to study prodrug metabolism and its antibacterial effects against Mycobacterium tuberculosis in both in vitro and in vivo experimental models.
CAS Number
13410-86-1
Field of Research
Infectious Disease & Virology
Smiles
O (CC (O) =O) C1=C (C=NNC (=O) C=2C=CN=CC2) C=CC=C1
Molecular Formula
C15H13N3O4
Molecular Weight
299.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aconiazide

Aconiazide is a hydrazone derivative of isoniazid, used in the treatment and prophylaxis of tuberculosis.

CAS Number13410-86-1
PubChem CID6433573
IUPAC Name2-[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Molecular FormulaC15H13N3O4
Molecular Weight299.28
XLogP1.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity408
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=NC=C2)OCC(=O)O
InChI
InChI=1S/C15H13N3O4/c19-14(20)10-22-13-4-2-1-3-12(13)9-17-18-15(21)11-5-7-16-8-6-11/h1-9H,10H2,(H,18,21)(H,19,20)/b17-9+
InChIKey
MDFXJBQEWLCGHP-RQZCQDPDSA-N
Chemical Structure
2D Structure
2D structure of Aconiazide
CAS: 13410-86-1
CID: 6433573
Formula: C15H13N3O4
MW: 299.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.28
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass299.09060590
Monoisotopic Mass299.09060590
Topological Polar Surface Area101 Ų
Heavy Atom Count22
Formal Charge0
Complexity408
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

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