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Edaravone O-β-D-glucuronide

CAT: 0862-GC2219-2mgSize: 2 mgDry Ice: NoHazardous: No
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CAT#:0862-GC2219-2mgSize:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67566-02-3
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Chemical Information

Norantipyrine glucuronide
CAS Number67566-02-3
PubChem CID6455497
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-methyl-2-phenylpyrazol-3-yl)oxyoxane-2-carboxylic acid
Molecular FormulaC16H18N2O7
Molecular Weight350.32
XLogP0.7
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity473
SMILES
CC1=NN(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H18N2O7/c1-8-7-10(18(17-8)9-5-3-2-4-6-9)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h2-7,11-14,16,19-21H,1H3,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
InChIKey
KZSVPEVBRMCCMG-JHZZJYKESA-N
Chemical Structure
2D Structure
2D structure of Norantipyrine glucuronide
CAS: 67566-02-3
CID: 6455497
Formula: C16H18N2O7
MW: 350.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.32
XLogP30.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass350.11140092
Monoisotopic Mass350.11140092
Topological Polar Surface Area134 Ų
Heavy Atom Count25
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom Stereocenter Count5
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
BICL2219-01Edaravone O-ß-D-glucuronide
AR-E09311-01Edaravone Glucuronide
CS-O-50961Edaravone Glucuronide-d5
HY-144247S-01Edaravone glucuronide-d5 (sodium)
CS-SN-00031Edaravone-D5 Glucuronide Sodium Salt
HY-176333Nebivolol O-β-D-glucuronide
HY-160078Deferiprone O-β-D-glucuronide
467593-01Thymol O-β-D-Glucuronide
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