Arbutamine hydrochlorideProduct ingredient for Arbutamine
- Name
- Arbutamine hydrochloride
- Drug Entry
- Arbutamine
Arbutamine, administered through a closed-loop, computer-controlled drug-delivery system, is indicated to elicit acute cardiovascular responses, similar to those produced by exercise, in order to aid in diagnosing the presence or absence of coronary artery disease in patients who cannot exercise adequately .
- Accession Number
- DBSALT001445
- Structure
Structure for Arbutamine hydrochloride (DBSALT001445)
- Synonyms
- Arbutamine HCl
- UNII
- K0NF2CPJ7F
- CAS Number
- 125251-66-3
- Weight
- Average: 353.84
Monoisotopic: 353.139386 - Chemical Formula
- C18H24ClNO4
- InChI Key
- ATBUNPBAFFCFKY-FERBBOLQSA-N
- InChI
- InChI=1S/C18H23NO4.ClH/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14;/h4-9,11,18-23H,1-3,10,12H2;1H/t18-;/m0./s1
- IUPAC Name
- 4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol hydrochloride
- SMILES
- Cl.O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC=C(O)C(O)=C1
- External Links
- ChemSpider
- 145755
- ChEMBL
- CHEMBL1200385
- Wikipedia
- Arbutamine
- Predicted Properties
Property Value Source Water Solubility 0.0842 mg/mL ALOGPS logP 2.08 ALOGPS logP 2 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 8.97 Chemaxon pKa (Strongest Basic) 9.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 92.95 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 89.78 m3·mol-1 Chemaxon Polarizability 35.58 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