8-Hydroxycarvedilol
Basic information
- CAS
159426-95-6- Standard SMILES
COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3c(O)cccc3c12- InChIKey
GPPVNZVFGNMPNR-UHFFFAOYSA-N- Molecular formula
- C24H26N2O5
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.18417193
Overview
8-Hydroxycarvedilol is a member of carbazoles.
Names & identifiers
- Preferred name
- 8-Hydroxycarvedilol
- IUPAC
- 5-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-1-ol
- English name
- 8-Hydroxy Carvedilol
- Molecular formula
- C24H26N2O5
- Molecular weight
- 422.47
Names & synonyms
8-Hydroxycarvedilol159426-95-6BM-910162UNII-8M5A8KY0RQ8M5A8KY0RQ9H-Carbazol-1-ol, 5-(2-hydroxy-3-((2-(2-methoxyphenoxy)ethyl)amino)propoxy)-5-(2-hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy)-9H-carbazol-1-ol5-(2-hydroxy-3-((2-(2-methoxyphenoxy)ethyl)amino)propoxy)-9H-carbazol-1-olRefChem:1992508-Hydroxy Carvedilol5-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-1-ol8-Hydroxycarvedilol (M16)
Show more names
9H-Carbazol-1-ol, 5-[2-hydroxy-3-[[2-(2-methoxyphenoxy)ethyl]amino]propoxy]-
CHEBI:166542JGA42695Q27270743
Database identifiers
- CAS
159426-95-6- PubChem CID
- 9979639
- ChEBI
CHEBI:166542- UNII
- 8M5A8KY0RQ
- Nikkaji
- J524.740C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 538
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Carvedilol
Physicochemical properties
- Melting point
- 130 °C · >130°C (dec.)
- Boiling point
- 702 · 702.0±60.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly)
- form
- Solid
- pka
- 9.92 · 9.92±0.30(Predicted)
- color
- Pale Red to Light Red
- FDA UNII
- 8 M5A8KY0RQ · 8M5A8KY0RQ
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsExtracellular
Metabolite PathwaysCarvedilol Action Pathway
Applications
Uses8-Hydroxy Carvedilol is a metabolite of Carvedilol (C184625) found in humans, rats, dogs and mice. 8-Hydroxy Carvedilol is a β androneceptor antagonist with antioxidant and free radical scavenger activity.
Additional notes
DefinitionChEBI: 8-Hydroxycarvedilol is a member of carbazoles.
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