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Chemical structure of (±)-4-hydroxy Propranolol β-D-Glucuronide

GC41661

(±)-4-hydroxy Propranolol β-D-Glucuronide

Also known as (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-yl]oxyoxane-2-carboxylic acid

(±)-4-hydroxy Propranolol β-D-glucuronide is a metabolite of (±)-4-hydroxy propranolol, which is a metabolite of propranolol

ChemicalCAS94731-13-2MW451.5FormulaC22H29NO9
CAS number
94731-13-2
Molecular weight
451.5
Formula
C22H29NO9
Solubility
Water: soluble
InChIKey
GCESUDQAKCEBSY-MBOKBCRSSA-N
Catalogue number
GC41661
Brand
GLPBIO
Computed properties PubChem CID 125231 · XLogP -1.3 · TPSA 158 Ų · H-bond donors 6
XLogP
-1.3
TPSA
158 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
32

SMILES CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O

Computed descriptors from PubChem (CID 125231), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Pricing
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Documents
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