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Morinidazole N-Oxide

CAT: 1596-AR-M05100-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M05100-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1413431-46-5
Synonyms
4- (2-hydroxy-3- (2-methyl-5-nitro-1H-imidazol-1-yl) propyl) morpholine 4-oxide
Molecular Formula
C11H18N4O5
Molecular Weight
286.29
API Name
Morinidazole

Chemical Information

Morinidazole metabolite M4-1
CAS Number1413431-46-5
PubChem CID146014926
IUPAC Name1-(2-methyl-5-nitroimidazol-1-yl)-3-(4-oxidomorpholin-4-ium-4-yl)propan-2-ol
Molecular FormulaC11H18N4O5
Molecular Weight286.28
XLogP-0.3
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity344
SMILES
CC1=NC=C(N1CC(C[N+]2(CCOCC2)[O-])O)[N+](=O)[O-]
InChI
InChI=1S/C11H18N4O5/c1-9-12-6-11(14(17)18)13(9)7-10(16)8-15(19)2-4-20-5-3-15/h6,10,16H,2-5,7-8H2,1H3
InChIKey
RAULXPQKVYYHDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Morinidazole metabolite M4-1
CAS: 1413431-46-5
CID: 146014926
Formula: C11H18N4O5
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass286.12771969
Monoisotopic Mass286.12771969
Topological Polar Surface Area111 Ų
Heavy Atom Count20
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BA1399-10Morinidazole
A18060-50Morinidazole 50mg
A18060-1Morinidazole 1mg
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A18060-100Morinidazole 100mg
A18060-25Morinidazole 25mg
A18060-10Morinidazole 10mg
HY-15781R-01Morinidazole (Standard)
HY-15781A-01(R) -Morinidazole
A18060-200Morinidazole 200mg

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