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Naproxen glucuronide

CAT: 0931-T69267-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69267-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41945-43-1
Target
Others, COX
Related Pathways
Neuroscience, Immunology/Inflammation, Others
Bioactivity
Naproxen glucuronide is a nonsteroidal anti-inflammatory drug (NSAID) of the propionic acid class (the same class as ibuprofen) that relieves pain, fever, swelling, and stiffness. It is a nonselective COX inhibitor.
Smiles
[C@H](C(O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)=O)(C)C2=CC3=C(C=C(OC)C=C3)C=C2
Molecular Formula
C20H22O9
Molecular Weight
406.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Naproxen glucuronide, (S)-

structure in first source

CAS Number41945-43-1
PubChem CID181715
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxyoxane-2-carboxylic acid
Molecular FormulaC20H22O9
Molecular Weight406.4
XLogP1.6
Topological Polar Surface Area143
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity597
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14-,15-,16+,17-,20-/m0/s1
InChIKey
XRHIELLXTVJOKM-ODXKUVGNSA-N
Chemical Structure
2D Structure
2D structure of Naproxen glucuronide, (S)-
CAS: 41945-43-1
CID: 181715
Formula: C20H22O9
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass406.12638228
Monoisotopic Mass406.12638228
Topological Polar Surface Area143 Ų
Heavy Atom Count29
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count6
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
MBS5811817Naproxen glucuronide
AR-N01127-01Naproxen Acyl Glucuronide
ESS0449-01(S) -Naproxen acyl-β-D-glucuronide
sc-222236(R) -Naproxen Acyl-β-D-glucuronide
007991Demethyl Naproxen Acyl-β-D-glucuronide
GC6440-1mgNaproxen-d6 acyl-β-D-glucuronide
BICL2475Naproxen-d6 acyl-ß-D-glucuronide
BICL4179-01Naproxen-acyl-beta-D-glucuronide
294308-01S-Naproxen acyl-b-D-glucuronide
294305-01(R) -Naproxen acyl-b-D-glucuronide

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