Products for Research Use Only
RegisterLogin

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

CAT: 0013-GTR19192153-02Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19192153-02Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
(±) -4-Hydroxy Propranolol β-D-glucuronide is a key phase II metabolite of the β-blocker propranolol, formed via conjugation of its active metabolite, 4-hydroxy propranolol. This glucuronide conjugate is utilized in pharmacological research to study propranolol's metabolic pathways, pharmacokinetics, and disposition in both in vitro and in vivo experimental models.
CAS Number
94731-13-2
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (C=1C2=C (C (OCC (CNC (C) C) O) =CC1) C=CC=C2) [C@@H]3O[C@H] (C (O) =O) [C@@H] (O) [C@H] (O) [C@H]3O
Molecular Formula
C22H29NO9
Molecular Weight
451.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(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
CAS Number94731-13-2
PubChem CID125231
IUPAC Name(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
Molecular FormulaC22H29NO9
Molecular Weight451.5
XLogP-1.3
Topological Polar Surface Area158
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity606
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
InChI
InChI=1S/C22H29NO9/c1-11(2)23-9-12(24)10-30-15-7-8-16(14-6-4-3-5-13(14)15)31-22-19(27)17(25)18(26)20(32-22)21(28)29/h3-8,11-12,17-20,22-27H,9-10H2,1-2H3,(H,28,29)/t12?,17-,18-,19+,20-,22+/m0/s1
InChIKey
GCESUDQAKCEBSY-MBOKBCRSSA-N
Chemical Structure
2D Structure
2D structure of (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
CAS: 94731-13-2
CID: 125231
Formula: C22H29NO9
MW: 451.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.5
XLogP3-1.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass451.18423150
Monoisotopic Mass451.18423150
Topological Polar Surface Area158 Ų
Heavy Atom Count32
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19247039-014'-Hydroxy atomoxetine β-D-glucuronide
GTR19268573-014-Hydroxy duloxetine β-D-glucuronide sodium
GTR19247048-014-Hydroxy propofol 4-O-β-D-Glucuronide
GTR19191735-015-hydroxy Propranolol
GTR19246907-014-Hydroxy propofol 1-O-β-D-glucuronide
GTR19281219-0111a-Hydroxy Progesterone b-D-Glucuronide
GTR191919074'-hydroxy Atomoxetine Glucuronide (hydrate)
GTR19245116-014-Nitrophenyl α-D-Glucuronide
GTR19247182-014-Aminophenyl β-D-glucuronide
GTR19191780Rac-7-hydroxy Propranolol (hydrochloride)

Alternative Products

CatalogName
T35402-01(±) -4-hydroxy Propranolol β-D-Glucuronide
sc-2100604-Hydroxy Propranolol β-D-Glucuronide
MBS5796757(+/-)-4-hydroxy Propranolol beta-D-Glucuronide
458135N-Benzyl 4-Hydroxy Propranolol β-D-Glucuronide
sc-219784Rac 4-Hydroxy Propranolol-d7 β-D-Glucuronide
sc-482978N-Methylphenyl 4-Hydroxy Propranolol β-D-Glucuronide
0144024-Hydroxy Propranolol β-D-Glucuronide (Mixture of Diastereomers)
sc-4885494-Hydroxy propranolol β-D-glucuronide methyl ester
MBS6019163-014-Hydroxy Propranolol beta-D-Glucuronide (Mixture of Diastereomers)
AR-P03140-014-Hydroxy Propranolol Glucuronide (Mixture of Diastereomers)

Popular Products