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Phenylephrine Glucuronide

CAT: 0013-GTR19232188Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232188Size:1 mg
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Description
Phenylephrine glucuronide is the primary Phase II metabolite of the α1-adrenergic agonist phenylephrine. This reference standard is used in pharmacological and ADME research to study drug metabolism and clearance in both in vitro enzyme assays and in vivo models.
CAS Number
2021255-73-0
Field of Research
Pharmacology & Drug Discovery
Smiles
CNC[C@H] (O) c1cccc (O[C@@H]2O[C@@H] ([C@@H] (O) [C@H] (O) [C@H]2O) C (O) =O) c1
Molecular Formula
C15H21NO8
Molecular Weight
343.332
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phenylephrine Glucuronide
CAS Number2021255-73-0
PubChem CID71751611
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy]oxane-2-carboxylic acid
Molecular FormulaC15H21NO8
Molecular Weight343.33
XLogP-3.6
Topological Polar Surface Area149
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity422
SMILES
CNC[C@@H](C1=CC(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O
InChI
InChI=1S/C15H21NO8/c1-16-6-9(17)7-3-2-4-8(5-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h2-5,9-13,15-20H,6H2,1H3,(H,21,22)/t9-,10-,11-,12+,13-,15+/m0/s1
InChIKey
DMVJUYDQYGHJIC-QBOXMOKDSA-N
Chemical Structure
2D Structure
2D structure of Phenylephrine Glucuronide
CAS: 2021255-73-0
CID: 71751611
Formula: C15H21NO8
MW: 343.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.33
XLogP3-3.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass343.12671663
Monoisotopic Mass343.12671663
Topological Polar Surface Area149 Ų
Heavy Atom Count24
Formal Charge0
Complexity422
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
AR-P01714-01Phenylephrine Glucuronide
HY-125370S-01Phenylephrine glucuronide-d3
MP07287-01Phenylephrine-D-glucuronide
sc-477573Phenylephrine β-D-Glucuronide
AR-P01715-01Phenylephrine-d3 glucuronide
MBS6081982-01Phenylephrine 2-O-Glucuronide
sc-478604(R) -Phenylephrine-d3 Glucuronide
TRC-P320652-50MG(R)-Phenylephrine-d3 Glucuronide
TRC-P320650-1MG(R)-Phenylephrine Beta-D-Glucuronide
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