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Hydroxy Fenbendazole-d3

CAT: 1596-AR-F01266-02Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01266-02Size:10 Units
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CAS Number
1596379-07-5
Synonyms
Methyl (6- ((4-hydroxyphenyl) thio) -1H-benzo[d]imidazol-2-yl) carbamate-D3; 4-Hydroxyfenbendazole-D3; Fbz-OH-D3;4'-hydroxyfenbendazole-D3;5- (p-Hydroxyphenyl) thio-2-carbomethoxyaminobenzimidazole-D3; p-Hydroxyfenbendazole-D3; Fenbendazole hydroxide-D3; hydroxyfenbendazole
Molecular Formula
C15H10D3N3O3S
Molecular Weight
318.37
API Name
Fenbendazole

Chemical Information

Hydroxyfenbendazole-(methyl-d3) monohydrate, VETRANAL(TM), analytical standard
CAS Number1596379-07-5
PubChem CID117065449
IUPAC Nametrideuteriomethyl N-[6-(4-hydroxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate;hydrate
Molecular FormulaC15H15N3O4S
Molecular Weight336.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity390
SMILES
[2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)O.O
InChI
InChI=1S/C15H13N3O3S.H2O/c1-21-15(20)18-14-16-12-7-6-11(8-13(12)17-14)22-10-4-2-9(19)3-5-10;/h2-8,19H,1H3,(H2,16,17,18,20);1H2/i1D3;
InChIKey
JFFKWYDCSIKODM-NIIDSAIPSA-N
Chemical Structure
2D Structure
2D structure of Hydroxyfenbendazole-(methyl-d3) monohydrate, VETRANAL(TM), analytical standard
CAS: 1596379-07-5
CID: 117065449
Formula: C15H15N3O4S
MW: 336.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass336.09715738
Monoisotopic Mass336.09715738
Topological Polar Surface Area114 Ų
Heavy Atom Count23
Formal Charge0
Complexity390
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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