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Chemical structure of Phenylephrine Glucuronide

GC44627

Phenylephrine Glucuronide

Also known as (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy]oxane-2-carboxylic acid

Phenylephrine glucuronide is a metabolite of the α1A-adrenergic receptor agonist phenylephrine

ChemicalCAS2021255-73-0MW343.3FormulaC15H21NO8
CAS number
2021255-73-0
Molecular weight
343.3
Formula
C15H21NO8
Solubility
Water： soluble
InChIKey
DMVJUYDQYGHJIC-QBOXMOKDSA-N
Catalogue number
GC44627
Brand
GLPBIO
Computed properties PubChem CID 71751611 · XLogP -3.6 · TPSA 149 Ų · H-bond donors 6
XLogP
-3.6
TPSA
149 Ų
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
24

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

Computed descriptors from PubChem (CID 71751611), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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