Dobutamine hydrochlorideProduct ingredient for Dobutamine
- Name
- Dobutamine hydrochloride
- Drug Entry
- Dobutamine
A beta-1 agonist catecholamine that has cardiac stimulant action without evoking vasoconstriction or tachycardia. It is proposed as a cardiotonic after myocardial infarction or open heart surgery.
- Accession Number
- DBSALT000711
- Structure
- Synonyms
- Dobutamine HCl
- UNII
- 0WR771DJXV
- CAS Number
- 49745-95-1
- Weight
- Average: 337.841
Monoisotopic: 337.144471346 - Chemical Formula
- C18H24ClNO3
- InChI Key
- BQKADKWNRWCIJL-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H
- IUPAC Name
- 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol hydrochloride
- SMILES
- Cl.CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1
- External Links
- PubChem Compound
- 65324
- ChemSpider
- 58808
- ChEBI
- 4671
- ChEMBL
- CHEMBL1200418
- Wikipedia
- Dobutamine
- Predicted Properties
Property Value Source Water Solubility 0.0137 mg/mL ALOGPS logP 2.97 ALOGPS logP 2.62 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 10.14 Chemaxon pKa (Strongest Basic) 9.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 72.72 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 88.39 m3·mol-1 Chemaxon Polarizability 33.82 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