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Iodoclorgyline

CAT: 0013-GTR19200211-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200211-02Size:50 mg
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Description
Iodoclorgyline is a selective and irreversible inhibitor of monoamine oxidase A (MAO-A) . It is widely used in neuroscience research to study neurotransmitter metabolism and the role of MAO-A in neurological and psychiatric disorders, both in vitro and in animal models.
CAS Number
140163-68-4
Smiles
O (CCCN (CC#C) C) C1=C (Cl) C=C (Cl) C=C1[125I]
Molecular Formula
C13H14Cl2INO
Molecular Weight
396.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Iodoclorgyline

(125)-idodoclorgyline may have potential as a radiopharmaceutical for MAO-A studies in the brain with SPECT; structure given in first source

CAS Number140163-68-4
PubChem CID126567
IUPAC Name3-(2,4-dichloro-6-(125I)iodophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine
Molecular FormulaC13H14Cl2INO
Molecular Weight396.06
XLogP4.3
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity294
SMILES
CN(CCCOC1=C(C=C(C=C1[125I])Cl)Cl)CC#C
InChI
InChI=1S/C13H14Cl2INO/c1-3-5-17(2)6-4-7-18-13-11(15)8-10(14)9-12(13)16/h1,8-9H,4-7H2,2H3/i16-2
InChIKey
PFCHUBXBWDBDNO-RFLHHMENSA-N
Chemical Structure
2D Structure
2D structure of 6-Iodoclorgyline
CAS: 140163-68-4
CID: 126567
Formula: C13H14Cl2INO
MW: 396.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.06
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass394.94988
Monoisotopic Mass394.94988
Topological Polar Surface Area12.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity294
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5773922Iodoclorgyline

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