6-Iodoclorgyline
Basic information
- CAS
140163-68-4- Standard SMILES
C#CCN(C)CCCOc1c(Cl)cc(Cl)cc1[125I]- InChIKey
PFCHUBXBWDBDNO-RFLHHMENSA-N- Molecular formula
- C13H14Cl2INO
- Average molar mass
- 396.06 g/mol
- Monoisotopic mass
- 394.94988
Overview
(125)-idodoclorgyline may have potential as a radiopharmaceutical for MAO-A studies in the brain with SPECT; structure given in first source
Names & identifiers
- Preferred name
- 6-Iodoclorgyline
- IUPAC
- 3-(2,4-dichloro-6-(125I)iodophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine
- English name
- 6-iodoclorgyline
- Molecular formula
- C13H14Cl2INO
- Molecular weight
- 397.05783
Names & synonyms
Iodoclorgyline140163-68-46-IodoclorgylineN-(3-(2,4-Dichloro-6-iodophenoxy)propyl)-N-methyl-2-propynylamineRefChem:104875(125I)-6-Iodoclorgyline3-(2,4-dichloro-6-(125I)iodanylphenoxy)-N-methyl-N-prop-2-ynylpropan-1-amineorb1703357DTXSID90930726AKOS040745871N-(3-(2,4-Dichloro-6-(iodo-125I)phenoxy)propyl)-N-methyl-2-propyn-1-amineT24171
Show more names
2-Propyn-1-amine, N-(3-(2,4-dichloro-6-(iodo-125I)phenoxy)propyl)-N-methyl-N-{3-[2,4-Dichloro-6-(~125~I)iodophenoxy]propyl}-N-methylprop-2-yn-1-amine
Database identifiers
- CAS
140163-68-4- PubChem CID
- 126567
- DTXSID
DTXSID90930726
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Chemistry & industry
Applications
DescriptionIodoclorgyline is a monoamine oxidase A inhibitor.
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Compound notes
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