Dobutamine tartrateProduct ingredient for Dobutamine
- Name
- Dobutamine tartrate
- 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
- DBSALT002324
- Structure
Structure for Dobutamine tartrate (DBSALT002324)
- Synonyms
- Dobutamine D-tartrate
- External IDs
- LY 174008 / LY-174008
- UNII
- 5D1IB9AI6J
- CAS Number
- 101626-66-8
- Weight
- Average: 451.472
Monoisotopic: 451.184231518 - Chemical Formula
- C22H29NO9
- InChI Key
- WZIUXGZIVZDXIG-WUUYCOTASA-N
- InChI
- InChI=1S/C18H23NO3.C4H6O6/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;5-1(3(7)8)2(6)4(9)10/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1
- IUPAC Name
- (2S,3S)-2,3-dihydroxybutanedioic acid; 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol
- SMILES
- O[C@@H]([C@H](O)C(O)=O)C(O)=O.CC(CCC1=CC=C(O)C=C1)NCCC1=CC=C(O)C(O)=C1
- External Links
- ChemSpider
- 180957
- 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 10 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