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5-hydroxy Thiabendazole

CAT: 0013-GTR19190669-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190669-01Size:10 mg
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Description
5-Hydroxy Thiabendazole (5-OH TBZ) is the primary metabolite of the anthelmintic thiabendazole. Unlike the parent compound, it lacks activity against third-stage Ancylostoma caninum larvae, making it a critical reference standard for studying drug metabolism and anthelmintic mechanisms in vitro.
CAS Number
948-71-0
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
Oc1ccc2[nH]c (nc2c1) -c1cscn1
Molecular Formula
C10H7N3OS
Molecular Weight
217.247
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Hydroxythiabendazole

5-Hydroxythiabendazole is a member of benzimidazoles.

CAS Number948-71-0
PubChem CID108227
IUPAC Name2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol
Molecular FormulaC10H7N3OS
Molecular Weight217.25
XLogP2.1
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity241
SMILES
C1=CC2=C(C=C1O)NC(=N2)C3=CSC=N3
InChI
InChI=1S/C10H7N3OS/c14-6-1-2-7-8(3-6)13-10(12-7)9-4-15-5-11-9/h1-5,14H,(H,12,13)
InChIKey
VNENJHUOPQAPAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxythiabendazole
CAS: 948-71-0
CID: 108227
Formula: C10H7N3OS
MW: 217.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.25
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass217.03098303
Monoisotopic Mass217.03098303
Topological Polar Surface Area90 Ų
Heavy Atom Count15
Formal Charge0
Complexity241
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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CatalogName
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