Ibopamine
Basic information
- CAS
66195-31-1- Standard SMILES
CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1- InChIKey
WDKXLLJDNUBYCY-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17835828
Overview
Ibopamine is a member of phenols and a benzoate ester.
Names & identifiers
- Preferred name
- Ibopamine
- IUPAC
- [4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
- English name
- ibopamine
- Molecular formula
- C17H25NO4
- Molecular weight
- 307.38
Names & synonyms
Ibopamine66195-31-1IbopaminumIbopaminaSB 7505[4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoateSB-75058ZCA2I2L11DTXSID3023138Propanoic acid, 2-methyl-, 4-(2-(methylamino)ethyl)-1,2-phenylene esterN-methyldopamine diisobutyrate(4-(2-(methylamino)ethyl)-2-(2-methylpropanoyloxy)phenyl) 2-methylpropanoate
Show more names
SKF-1001683,4-Di-O-isobutyrylepinineDiisobutyric acid 4-[2-(methylamino)ethyl]-o-phenylene esterPropanoic acid, 2-methyl-, 1,1'-[4-[2-(methylamino)ethyl]-1,2-phenylene] ester
5-(2-(methylamino)ethyl)-2-((2-methylpropanoyl)oxy)phenyl 2-methylpropanoate5-[2-(methylamino)ethyl]-2-[(2-methylpropanoyl)oxy]phenyl 2-methylpropanoateRefChem:789639DTXCID603138C01CA16S01FB03266-229-54-(2-(Methylamino)ethyl)-o-phenylene diisobutyrate
Database identifiers
- CAS
66195-31-1- PubChem CID
- 68555
- DTXSID
DTXSID3023138- ChEMBL
CHEMBL307739- ChEBI
CHEBI:135306- UNII
- 8ZCA2I2L11
- EC Number
- 266-229-5
- Nikkaji
- J18.921I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- FDA UNII
- 8 ZCA2I2L11 · 8ZCA2I2L11
- ATC code
- 1 CA16,S01FB03 · C01CA16,S01FB03
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
S - Sensory organs
QS - Sensory organs
QC - Cardiovascular system
MeSH Pharmacological Classification
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
Agents that promote the excretion of urine through their effects on kidney function.
Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics.
Drugs used to cause dilation of the blood vessels.
Drugs that bind to and activate dopamine receptors.
Cellular LocationsMembrane
Applications
UsesDopaminergic agent (peripheral).
Additional notes
DefinitionChEBI: Ibopamine is a member of phenols and a benzoate ester.
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