Penbutolol sulfateProduct ingredient for Penbutolol
- Name
- Penbutolol sulfate
- Drug Entry
- Penbutolol
Penbutolol is a drug in the beta-blocker class used to treat hypertension. Penbutolol binds both beta-1 and beta-2 adrenergic receptors, rendering it a non-selective beta-blocker. Penbutolol can act as a partial agonist at beta adrenergic receptors, since it is a sympathomimetric drug. Penbutolol also demonstrates high binding affinity to the 5-hydroxytryptamine receptor 1A with antagonistic effects. This binding characteristic of penbutolol is being investigated for its implications in Antidepressant Therapy. Penbutolol is contraindicated in patients with cardiogenic shock, sinus bradycardia, second and third degree atrioventricular conduction block, bronchial asthma, and those with known hypersensitivity.
- Accession Number
- DBSALT000137
- Structure
Structure for Penbutolol sulfate (DBSALT000137)
- Synonyms
- Not Available
- External IDs
- HOE 39-893D / HOE 893D / HOE-39-893D / HOE-893D
- UNII
- US71433228
- CAS Number
- 38363-32-5
- Weight
- Average: 389.507
Monoisotopic: 389.187208419 - Chemical Formula
- C18H31NO6S
- InChI Key
- KTXVDQNRHZQBOR-RSAXXLAASA-N
- InChI
- InChI=1S/C18H29NO2.H2O4S/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;1-5(2,3)4/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;(H2,1,2,3,4)/t15-;/m0./s1
- IUPAC Name
- (2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol; sulfuric acid
- SMILES
- OS(O)(=O)=O.[H][C@](O)(CNC(C)(C)C)COC1=CC=CC=C1C1CCCC1
- External Links
- PubChem Compound
- 6917868
- ChemSpider
- 5293088
- ChEBI
- 774314
- ChEMBL
- CHEMBL1200363
- Wikipedia
- Penbutolol
- Predicted Properties
Property Value Source Water Solubility 0.0212 mg/mL ALOGPS logP 3.84 ALOGPS logP 3.55 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 14.09 Chemaxon pKa (Strongest Basic) 9.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 41.49 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 86.6 m3·mol-1 Chemaxon Polarizability 34.59 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon