Toborinone
Basic information
- CAS
143343-83-3- Standard SMILES
COc1ccc(CNCC(O)COc2ccc3[nH]c(=O)ccc3c2)cc1OC- InChIKey
BYKYPZBCMBEEGU-UHFFFAOYSA-N- Molecular formula
- C21H24N2O5
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.16852187
Overview
Toborinone is a member of quinolines.
Names & identifiers
- Preferred name
- Toborinone
- IUPAC
- 6-[3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one
- English name
- Toborinone
- Molecular formula
- C21H24N2O5
- Molecular weight
- 384.43
Names & synonyms
Toborinonetorborinone143343-83-3OPC-18790ToborinonaDTXSID30488131U1N0YXM99DTXCID60287396-(3-(3,4-dimethoxybenzylamino)-2-hydroxypropoxy)-2(1H)-quinolinonetoborinonumRefChem:9331596-(3-(3,4-Dimethoxy-benzylamino)-2-hydroxy-propoxy)-1H-quinolin-2-one
Show more names
(+-)-6-(2-Hydroxy-3-(veratrylamino)propoxy)carbostyril(+-)-6-(3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-hydroxypropoxy)-2(1H)-quinolinone2(1H)-Quinolinone, 6-(3-(((3,4-dimethoxyphenyl)methyl)amino)-2-hydroxypropoxy)-, (+-)-
128667-95-86-[3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxypropoxy]-1H-quinolin-2-oneNCGC00183846-01Toborinone [INN]CCRIS 7932Toborinone [USAN:INN]BRN 5455092UNII-1U1N0YXM99
Database identifiers
- CAS
143343-83-3- PubChem CID
- 60790
- DTXSID
DTXSID3048813- ChEMBL
CHEMBL116315- ChEBI
CHEBI:32236- UNII
- 1U1N0YXM99
- Nikkaji
- J1.638.597B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Boiling point
- 661.8 · 661.8±55.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- 11.09 · 11.09±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 U1N0YXM99 · 1U1N0YXM99
Chemistry & industry
Pharmacology
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).
Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.
Drugs used to cause dilation of the blood vessels.
Applications
UsesCardiotonic.
Additional notes
DefinitionChEBI: Toborinone is a member of quinolines.
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Compound notes
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