Basic information
- CAS
113452-80-5- Standard SMILES
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc([125I])c1O- InChIKey
CANPFCFJURGKAX-GDIHVQSNSA-N- Molecular formula
- C15H21IN2O3
- Average molar mass
- 402.24 g/mol
- Monoisotopic mass
- 402.05985
Names & identifiers
- Preferred name
- Iolopride I-125
- IUPAC
- N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-3-(125I)iodo-6-methoxy(125I)benzamide
Names & synonyms
Iolopride I-125UNII-0709QG1NOY0709QG1NOY113452-80-5Benzamide, N-(((2S)-1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-3-(iodo-125I)-6-methoxy-Iolopride (125I)DTXSID101350164MOLI000144Q27236243
Database identifiers
- CAS
113452-80-5- PubChem CID
- 449747
- DTXSID
DTXSID101350164- UNII
- 0709QG1NOY
- Nikkaji
- J584.383I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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