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1173020-86-4 | 5-HydroxyMebendazole-D3
CAS No: 1173020-86-4 Catalog No: AG000E2M MDL No:
Product Description
Catalog Number:
AG000E2M
Chemical Name:
5-HydroxyMebendazole-D3
CAS Number:
1173020-86-4
Molecular Formula:
C16H12D3N3O3
Molecular Weight:
300.3271
IUPAC Name:
methyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate
InChI:
InChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)
InChI Key:
IIQKUGXEGMZCLE-UHFFFAOYSA-N
SMILES:
O=C(OC([2H])([2H])[2H])Nc1[nH]c2c(n1)cc(cc2)C(c1ccccc1)O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
297.314g/mol
Monoisotopic Mass:
297.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Development and validation of a liquid chromatography-electrospray tandem mass spectrometry method for mebendazole and its metabolites hydroxymebendazole and aminomebendazole in sheep liver. | The Analyst 20011201 |
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