Carazolol, (R)-
Basic information
- CAS
78859-34-4- Standard SMILES
CC(C)NC[C@@H](O)COc1cccc2[nH]c3ccccc3c12- InChIKey
BQXQGZPYHWWCEB-CYBMUJFWSA-N- Molecular formula
- C18H22N2O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.16812795
Names & identifiers
- Preferred name
- Carazolol, (R)-
- IUPAC
- (2R)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
- English name
- (+)-CARAZOLOL
- Molecular formula
- C18H22N2O2
- Molecular weight
- 298.38
Names & synonyms
(+)-Carazolol78859-34-4Carazolol, (R)-UNII-QWG53K908BQWG53K908B2-Propanol, 1-(9H-carbazol-4-yloxy)-3-((1-methylethyl)amino)-, (2R)-RefChem:200066(R)-Carazolol(2R)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol(R)-Carazolol HydrochlorideCHEMBL2375681PD132934
Show more names
CARVEDIOL(R,S)-CARAZOLOL4-(2-HYDROXY-3-ISOPROPYLAMINO-PROPOXY)-CARBAZOLE1-(CARBAZOL-4-YLOXY)-3-(ISOPROPYLAMINO)-2-PROPANOL(R)-4-(2-HYDROXY-3-ISOPROPYLAMINO-PROPOXY)-CARBAZOLE(R)-1-(CARBAZOL-4-YLOXY)-3-(ISOPROPYLAMINO)-2-PROPANOL2-PROPANOL, 1-(9H-CARBAZOL-4-YLOXY)-3-[(1-METHYLETHYL)AMINO]-2-PROPANOL, 1-(9H-CARBAZOL-4-YLOXY)-3-[(1-METHYLETHYL)AMINO], (2R)
Q27287535
Database identifiers
- CAS
78859-34-4- PubChem CID
- 13023331
- ChEMBL
CHEMBL2375681- UNII
- QWG53K908B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 531.2 · 531.2±40.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- pka
- 13.94 · 13.94±0.20(Predicted)
- FDA UNII
- 53 K908B · QWG53K908B
Chemistry & industry
Applications
Uses(R)-Carazolol Hydrochloride is a β-adrenoceptor antagonist.
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Related reactions
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Compound notes
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