Mebendazole-d3

Base Information

• Chemical Name: Mebendazole-d3
• CAS No.: 1173021-87-8
• Molecular Formula: C16H13N3O3
• Molecular Weight: 298.31
• European Community (EC) Number: 688-537-2
• DSSTox Substance ID: DTXSID90746829
• Wikidata: Q82695539
• Mol file: 1173021-87-8.mol

Synonyms:Mebendazole-d3;Mebendazole D3;1173021-87-8;trideuteriomethyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate;(?H?)methyl N-(6-benzoyl-1H-1,3-benzodiazol-2-yl)carbamate;DTXSID90746829;HY-17595S;CS-O-10955;CS-0129509;Mebendazole-d3, VETRANAL(TM), analytical standard;(~2~H_3_)Methyl (6-benzoyl-1H-benzimidazol-2-yl)carbamate

Chemical Property of Mebendazole-d3

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 298.11452152
• Heavy Atom Count: 22
• Complexity: 423

Purity/Quality:

99% ^*data from raw suppliers

Mebendazole-d8 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3
• Isomeric SMILES: [2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3
• Uses: Labelled Mebendazole (M200500). Anthelmintic (Nematodes). (Mebendazole-d3) Labeled Mebendazole, intended for use as an internal standard for the quantification of Mebendazole by GC- or LC-mass spectrometry.