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Flubendazole-d3 (methyl-d3)

CAT: 0931-TMIJ-0295-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0295-01Size:1 mg
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CAS Number
1173021-08-3
Target
Microtubule Associated, Apoptosis, Parasite
Related Pathways
Microbiology/Virology, Cytoskeletal Signaling, Apoptosis
Bioactivity
Flubendazole-d3 (methyl-d3) is a deuterated compound of Flubendazole. Flubendazole has a CAS number of 31430-15-6. Flubendazole is available OTC in Europe that is an anthelmintic using to treat worm infection in humans.
Smiles
O=C(C1=CC=C2C(=C1)N=C(N2)NC(OC([2H])([2H])[2H])=O)C1=CC=C(C=C1)F
Molecular Formula
C16H9D3FN3O3
Molecular Weight
316.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Flubendazole-d3
CAS Number1173021-08-3
PubChem CID71312490
IUPAC Nametrideuteriomethyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate
Molecular FormulaC16H12FN3O3
Molecular Weight316.30
XLogP2.9
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity454
SMILES
[2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)/i1D3
InChIKey
CPEUVMUXAHMANV-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Flubendazole-d3
CAS: 1173021-08-3
CID: 71312490
Formula: C16H12FN3O3
MW: 316.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.30
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass316.10509965
Monoisotopic Mass316.10509965
Topological Polar Surface Area84.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity454
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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CatalogName
450118-01Flubendazole-d3
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CS-O-40039Thiamphenicol-d3 (methyl-d3)
RM-M050906-01Methimazole D3 (Methyl D3)
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CS-O-60045Belzutifan-d3 (methyl-d3)
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