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5-hydroxy Propranolol

CAT: 0931-T36237-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T36237-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81907-82-6
Target
Others, Adrenergic Receptor
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
5-hydroxy Propranolol is a metabolite of propranolol , a β-adrenergic receptor antagonist. Propranolol is primarily metabolized in the liver, with cytochrome P450 isoform 2D6 directing ring hydroxylation and the generation of 5-hydroxy propranolol and related metabolites.
Smiles
CC(C)NCC(O)COc1cccc2c(O)cccc12
Molecular Formula
C16H21NO3
Molecular Weight
275.348
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5'-Hydroxypropranolol
CAS Number81907-82-6
PubChem CID10446087
IUPAC Name5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol
Molecular FormulaC16H21NO3
Molecular Weight275.34
XLogP2.6
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity285
SMILES
CC(C)NCC(COC1=CC=CC2=C1C=CC=C2O)O
InChI
InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-4-5-13-14(16)6-3-7-15(13)19/h3-8,11-12,17-19H,9-10H2,1-2H3
InChIKey
WMYPGILKDMWISO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5'-Hydroxypropranolol
CAS: 81907-82-6
CID: 10446087
Formula: C16H21NO3
MW: 275.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.34
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass275.15214353
Monoisotopic Mass275.15214353
Topological Polar Surface Area61.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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0144045-Hydroxy Propranolol Hydrochloride
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