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Carbendazim-d4

CAT: 0804-HY-13582S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13582S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Carbendazim-d4 is the deuterium labeled Carbendazim. Carbendazim is a potent and orally active broad-spectrum?benzimidazole fungicide and can be acts as a pesticide for fungal diseases research, such as Seproria, ?Fusarium?and?Sclerotina[1][3]. Carbendazim is a benzimidazole derivative with antitumor activity and used for cancer research, especially advanced solid tumors and lymphoma[3].
CAS Number
291765-95-2
UNSPSC
12352005
Hazard Statement
H317, H340, H360, H410
Target
Fungal; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Field of Research
Infection; Cancer
Purity
99.64
Solubility
10 mM in DMSO
Smiles
COC(NC1=NC2=C([2H])C([2H])=C([2H])C([2H])=C2N1)=O
Molecular Formula
C9H5D4N3O2
Molecular Weight
195.21
Precautions
H317, H340, H360, H410
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Carbendazim|[3]Yuanxiang Jin, et al. Oral Exposure of Mice to Carbendazim Induces Hepatic Lipid Metabolism Disorder and Gut Microbiota Dysbiosis. Toxicol Sci. 2015 Sep;147 (1) :116-26|[4]Bilge G. Tuna, et al. Enhanced antitumor activity of carbendazim on HeLa cervical cancer cells by aptamer mediated controlled release. RSC Advances
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Carbendazim-d4
CAS Number291765-95-2
PubChem CID10584007
IUPAC Namemethyl N-(4,5,6,7-tetradeuterio-1H-benzimidazol-2-yl)carbamate
Molecular FormulaC9H9N3O2
Molecular Weight195.21
XLogP1.5
Topological Polar Surface Area67
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity222
SMILES
[2H]C1=C(C(=C2C(=C1[2H])NC(=N2)NC(=O)OC)[2H])[2H]
InChI
InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)/i2D,3D,4D,5D
InChIKey
TWFZGCMQGLPBSX-QFFDRWTDSA-N
Chemical Structure
2D Structure
2D structure of Carbendazim-d4
CAS: 291765-95-2
CID: 10584007
Formula: C9H9N3O2
MW: 195.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.21
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass195.094583522
Monoisotopic Mass195.094583522
Topological Polar Surface Area67 Ų
Heavy Atom Count14
Formal Charge0
Complexity222
Isotope Atom Count4
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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