Basic information
- CAS
131062-31-2- Standard SMILES
CCN1CCCC1CNC(=O)c1c(O)c(I)cc(OC)c1OC- InChIKey
BKJGKGPGPACEQW-UHFFFAOYSA-N- Molecular formula
- C16H23IN2O4
- Average molar mass
- 434.27 g/mol
- Monoisotopic mass
- 434.07025
Names & identifiers
- Preferred name
- 3-iodo-N-((1-ethyl-2-pyrrolidinyl)methyl)-5,6-dimethoxysalicylamide
- IUPAC
- N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-iodo-5,6-dimethoxybenzamide
Names & synonyms
3-Iodo-N-((1-ethyl-2-pyrrolidinyl)methyl)-5,6-dimethoxysalicylamideRefChem:911440N-[(1-Ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-3-iodo-5,6-dimethoxybenzamideSCHEMBL9500725SCHEMBL29390414DTXSID70927058N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-iodo-5,6-dimethoxybenzamideL004520N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-iodo-5,6-dimethoxybenzene-1-carboximidic acid
Database identifiers
- CAS
131062-31-2- PubChem CID
- 86228
- DTXSID
DTXSID70927058
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to and activate dopamine receptors.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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