N-(4,7-Dimethoxy-6-(2-(1-pyrrolidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea
Basic information
- CAS
66203-00-7- Standard SMILES
CNC(=O)Nc1c(OCCN2CCCC2)c(OC)c2occc2c1OC- InChIKey
BWMMRMDCODVQBX-UHFFFAOYSA-N- Molecular formula
- C18H25N3O5
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.17942091
Overview
Carocainide is a small molecule drug. The usage of the INN stem '-cain-' in the name indicates that Carocainide is a class I antiarrhythmic, procainamide and lidocaine derivative. Carocainide has a monoisotopic molecular weight of 363.18 Da.
Names & identifiers
- Preferred name
- N-(4,7-Dimethoxy-6-(2-(1-pyrrolidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea
- IUPAC
- 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-methylurea
- English name
- carocainide
- Molecular formula
- C18H25N3O5
- Molecular weight
- 363.41
Names & synonyms
CarocainideCarocainida66203-00-7CarocainidumT643E80J9K1-(4,7-Dimethoxy-6-(2-(1-pyrrolidinyl)ethoxy)-5-benzofuranyl)-3-methylureaDTXSID00216381MD-770207RefChem:926793DTXCID00138872N-(4,7-Dimethoxy-6-(2-(1-pyrrolidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea266-233-7
Show more names
1-[4,7-Dimethoxy-6-(2-pyrrolizinoethoxy)benzofuran-5-yl]-3-methylureaN--N'-methylureaN-[4,7-Dimethoxy-6-[2-(1-pyrrolidinyl)ethoxy]-5-benzofuranyl]-N'-methylureaUrea, N-[4,7-dimethoxy-6-[2-(1-pyrrolidinyl)ethoxy]-5-benzofuranyl]-N'-methyl-
Carocainide [INN]Carocainidum [INN-Latin]Carocainida [INN-Spanish]EINECS 266-233-7UNII-T643E80J9KBRN 51541931-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-methylureaN-(4,7-Dimethoxy-6-(2-pyrrolidinoethoxy)-5-benzofuranyl)-N'-methylurea
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 460
Experimental & physicochemical properties
LogP1.38
Physicochemical properties
- Melting point
- 116 °C · 116 °C
- Boiling point
- 504.4 · 504.4±50.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 13.19 · 13.19±0.46(Predicted)
- FDA UNII
- 643 E80J9K · T643E80J9K
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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