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Albendazole sulfone-d3

CAT: 0931-TMIH-0077-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIH-0077-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1448345-60-5
Target
Parasite, Drug Metabolite
Related Pathways
Metabolism, Microbiology/Virology
Bioactivity
Albendazole sulfone-d3 is a deuterated compound of Albendazole sulfone.
Smiles
[2H]C([2H])([2H])OC(=O)NC1=NC2=CC=C(C=C2N1)S(=O)(=O)CCC
Molecular Formula
C12H12D3N3O4S
Molecular Weight
300.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Albendazole sulfone-d3
CAS Number1448345-60-5
PubChem CID117065263
IUPAC Nametrideuteriomethyl N-(6-propylsulfonyl-1H-benzimidazol-2-yl)carbamate
Molecular FormulaC12H15N3O4S
Molecular Weight300.35
XLogP1.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity448
SMILES
[2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)CCC
InChI
InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/i2D3
InChIKey
CLSJYOLYMZNKJB-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of Albendazole sulfone-d3
CAS: 1448345-60-5
CID: 117065263
Formula: C12H15N3O4S
MW: 300.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.35
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass300.09715738
Monoisotopic Mass300.09715738
Topological Polar Surface Area110 Ų
Heavy Atom Count20
Formal Charge0
Complexity448
Isotope Atom Count3
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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CS-W-00083Albendazole Sulfone-d3
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