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Metronidazole-d4

CAT: 0804-HY-B0318S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0318S1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Metronidazole-d4 is the deuterium labeled Metronidazole. Metronidazole is a nitroimidazole antibiotic medication used particularly for anaerobic bacteria and protozoa.
CAS Number
1261392-47-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Antibiotic; Apoptosis; Bacterial; Parasite
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Apoptosis
Field of Research
Infection
Purity
98.25
Solubility
10 mM in DMSO|DMF : ≥ 15mg/mL|DMSO : ≥ 15mg/mL|Ethanol : ≥ 5mg/mL
Smiles
[2H]C([2H])(N1C([N+]([O-])=O)=CN=C1C)C([2H])(O)[2H]
Molecular Formula
C6H5D4N3O3
Molecular Weight
175.18
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Cohen, S.H., et al., Clinical practice guidelines for Clostridium difficile infection in adults: 2010 update by the society for healthcare epidemiology of America (SHEA) and the infectious diseases society of America (IDSA) . Infect Control Hosp Epidemiol, 2010. 31 (5) : p. 431-55.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1,1,2,2-Tetradeuterio-2-(2-methyl-5-nitroimidazol-1-yl)ethanol
CAS Number1261392-47-5
PubChem CID49849778
IUPAC Name1,1,2,2-tetradeuterio-2-(2-methyl-5-nitroimidazol-1-yl)ethanol
Molecular FormulaC6H9N3O3
Molecular Weight175.18
XLogP0
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity170
SMILES
[2H]C([2H])(C([2H])([2H])O)N1C(=NC=C1[N+](=O)[O-])C
InChI
InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3/i2D2,3D2
InChIKey
VAOCPAMSLUNLGC-RRVWJQJTSA-N
Chemical Structure
2D Structure
2D structure of 1,1,2,2-Tetradeuterio-2-(2-methyl-5-nitroimidazol-1-yl)ethanol
CAS: 1261392-47-5
CID: 49849778
Formula: C6H9N3O3
MW: 175.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.18
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass175.08949814
Monoisotopic Mass175.08949814
Topological Polar Surface Area83.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity170
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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Alternative Products

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TMIH-0343-01Metronidazole-d4
014144Hydroxy Metronidazole-d4
ESS0274-01Metronidazole-D4 Hydrochloride
B1976-5.1Metronidazole

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