Ropitoin
Basic information
- CAS
56079-81-3- Standard SMILES
COc1ccc(C2(c3ccccc3)NC(=O)N(CCCN3CCC(c4ccccc4)CC3)C2=O)cc1- InChIKey
QAKVGHCHHKKDBQ-UHFFFAOYSA-N- Molecular formula
- C30H33N3O3
- Average molar mass
- 483.6 g/mol
- Monoisotopic mass
- 483.25219192
Overview
See also: Ropitoin Hydrochloride (active moiety of).
Names & identifiers
- Preferred name
- Ropitoin
- IUPAC
- 5-(4-methoxyphenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
- English name
- Ropitoin
- Molecular formula
- C30H33N3O3
- Molecular weight
- 483.6
Names & synonyms
ROPITOIN56079-81-3RopitoinaRopitoinumRopitoin [INN]ropitoineUNII-417FG5371N417FG5371N5-(p-Methoxyphenyl)-5-phenyl-3-(3-(4-phenylpiperidino)propyl)hydantoin5-(4-Methoxyphenyl)-5-phenyl-3-(3-(4-phenylpiperidino)propyl)-2,4-imidazolidindion2,4-Imidazolidinedione, 5-(4-methoxyphenyl)-5-phenyl-3-(3-(4-phenyl-1-piperidinyl)propyl)-RefChem:179813
Show more names
Tr 29855-(p-Methoxyphenyl)-5-phenyl-3-[3-(4-phenylpiperidino)propyl]hydantoin
5-(4-methoxyphenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione5-(4-methoxyphenyl)-5-phenyl-3-(3-(4-phenylpiperidin-1-yl)propyl)imidazolidine-2,4-dioneorb1706695SCHEMBL1814979CHEMBL2110713DTXSID50866532HY-U00274MFCD00864720
Database identifiers
- CAS
56079-81-3- PubChem CID
- 41738
- DTXSID
DTXSID50866532- ChEMBL
CHEMBL2110713- UNII
- 417FG5371N
- Nikkaji
- J11.114G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 732
Physicochemical properties
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 7.11 · 7.11±0.70(Predicted)
- color
- Off-white to light yellow
- FDA UNII
- 417 FG5371N · 417FG5371N
Chemistry & industry
Applications
UsesCardiac depressant (anti-arrhythmic).
UsesRopitoin is an antiarrhythmic drug.
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Related reactions
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Compound notes
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