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Albendazole-d3 (Methoxy-d3)

CAT: 0572-TRC-A511613-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A511613-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1353867-92-1
Synonyms
Trideuteriomethyl N-(5-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])OC(=O)Nc1nc2cc(SCCC)ccc2[nH]1
Molecular Formula
C10 H12 N3 S
Molecular Weight
268.35
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)/i2D3
Additionnal Information
IUPAC name: trideuteriomethyl N-(5-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Albendazole-(methyl-d3)
CAS Number1353867-92-1
PubChem CID71312574
IUPAC Nametrideuteriomethyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
Molecular FormulaC12H15N3O2S
Molecular Weight268.35
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])OC(=O)NC1=NC2=C(N1)C=C(C=C2)SCCC
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)/i2D3
InChIKey
HXHWSAZORRCQMX-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of Albendazole-(methyl-d3)
CAS: 1353867-92-1
CID: 71312574
Formula: C12H15N3O2S
MW: 268.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.35
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass268.10732814
Monoisotopic Mass268.10732814
Topological Polar Surface Area92.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity290
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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Alternative Products

CatalogName
441108-01Albendazole-d3 (Methoxy-d3)
MBS5771845Albendazole-d3
CS-O-03349Albendazole-d3 (OMe-d3)
CS-W-00083Albendazole Sulfone-d3
RM-A020427-01Albendazole Sulphoxide D3
AR-A01576-01Albendazole Sulfoxde-d3
HY-B0223S4Albendazole-d3-1
MBS3846067-01Albendazole sulfoxide D3
FA170979-01Albendazole-sulphone-D3
CS-O-02843Albendazole-d3 Sulfoxide

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