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Albendazole

CAT: 1489-A8970-02Size: 25 gDry Ice: NoHazardous: No
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CAS Number
54965-21-8

Chemical Information

Albendazole

Albendazole is a carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a propylsulfanyl group at position 5. It is commonly used in the treatment of parasitic worm infestations. It has a role as an anthelminthic drug, a tubulin modulator and a microtubule-destabilising agent. It is a member of benzimidazoles, a carbamate ester, an aryl sulfide and a benzimidazolylcarbamate fungicide.

CAS Number54965-21-8
PubChem CID2082
IUPAC Namemethyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
Molecular FormulaC12H15N3O2S
Molecular Weight265.33
XLogP2.9
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity290
SMILES
CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
InChI
InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKey
HXHWSAZORRCQMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Albendazole
CAS: 54965-21-8
CID: 2082
Formula: C12H15N3O2S
MW: 265.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.33
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass265.08849790
Monoisotopic Mass265.08849790
Topological Polar Surface Area92.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity290
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

Alternative Products

CatalogName
A8358-100Albendazole
AT091Albendazole Ⅰ

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