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Albendazole-d7

CAT: 0572-TRC-A511612-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A511612-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1287076-43-0
Synonyms
N-[6-(Propylthio-d7)-1H-benzimidazol-2-yl]carbamic Acid Methyl Ester; [5-(Propylthio-d7)-1H-benzimidazol-2-yl]carbamic Acid Methyl Ester; Albenza-d7; Andazol-d7; Ashialben-d7; Atasol-d7; Bruzol-d7; Eskazole-d7; Loveral-d7; Lurdex-d7; Proftril-d7; Valbazen-d7; Zentel-d7; NSC 220008-d7; Tobend-d7 Valbazen-d7; Vermisen-d7; Vermitan-d7; Vermizole-d7; Zentel-d7;
Hazard Statement
May be harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
O=C(OC)NC1=NC2=CC(SC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=CC=C2N1
Molecular Formula
C12H8D7N3O2S
Molecular Weight
272.37
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Albendazole-d7
CAS Number1287076-43-0
PubChem CID71313065
IUPAC Namemethyl N-[6-(1,1,2,2,3,3,3-heptadeuteriopropylsulfanyl)-1H-benzimidazol-2-yl]carbamate
Molecular FormulaC12H15N3O2S
Molecular Weight272.38
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
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])SC1=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)/i1D3,3D2,6D2
InChIKey
HXHWSAZORRCQMX-JOMZKNQJSA-N
Chemical Structure
2D Structure
2D structure of Albendazole-d7
CAS: 1287076-43-0
CID: 71313065
Formula: C12H15N3O2S
MW: 272.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.38
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass272.13243512
Monoisotopic Mass272.13243512
Topological Polar Surface Area92.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity290
Isotope Atom Count7
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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