Quinetolate
Basic information
- CAS
5714-76-1- Standard SMILES
CCN(CC)C(=O)C1CC=CCC1C(=O)O.CCN(CC)C(=O)C1CC=CCC1C(=O)O.COc1ccc2nccc(NCCN(C)C)c2c1- InChIKey
GHYKCJCWYCWOMA-UHFFFAOYSA-N- Molecular formula
- C38H57N5O7
- Average molar mass
- 695.9 g/mol
- Monoisotopic mass
- 695.42579917
Overview
structure
Names & identifiers
- Preferred name
- Quinetolate
- IUPAC
- bis(6-(diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid);N-(6-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
- English name
- quinetalate
- Molecular formula
- C26H38N4O4
- Molecular weight
- 470.61
Names & synonyms
QUINETOLATEQuinetalateQuinetalatumQuinetalato56UTZ1RCNOphthalamaquinquinetholateRefChem:930471227-207-05714-76-1Quinetolate [USAN]Quinetalate [INN]
Show more names
N'-(6-Methoxy-4-quinolinyl)-N,N-dimethyl-1,2-ethanediamine/6-[(diethylamino)carbonyl]-3-cyclohexene-1-carboxylic acid,(1:2)
ChinetalatumUNII-56UTZ1RCNOQuinetalatum [INN-Latin]Quinetalato [INN-Spanish]DTXSID30972605IYQFWDZTTDVVBP-UHFFFAOYSA-NEINECS 227-207-0Quinetolate (USAN/INN)
Database identifiers
- CAS
5714-76-1- PubChem CID
- 21947
- DTXSID
DTXSID30972605- UNII
- 56UTZ1RCNO
- EC Number
- 227-207-0
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- FDA UNII
- 56 UTZ1RCNO · 56UTZ1RCNO
Chemistry & industry
Applications
UsesRelaxant (smooth muscle).
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…