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Iodophenpropit dihydrobromide

CAT: 0931-T15590-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T15590-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145196-87-8
Target
Histamine Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Immunology/Inflammation
Bioactivity
Iodophenpropit dihydrobromide is an effective and selective antagonist of the histamine H3 receptor. The binding of [125I]Iodophenpropit is readily reversible, selective, and of high affinity (KD: 0.32 nM) .
Smiles
Br.Ic1ccc(CCNC(=N)SCCCc2cnc[nH]2)cc1
Molecular Formula
C15H20BrIN4S
Molecular Weight
495.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Iodophenpropit dihydrobromide
CAS Number145196-87-8
PubChem CID24978528
IUPAC Name3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate;dihydrobromide
Molecular FormulaC15H21Br2IN4S
Molecular Weight576.1
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity319
SMILES
C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I.Br.Br
InChI
InChI=1S/C15H19IN4S.2BrH/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14;;/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20);2*1H
InChIKey
BOSOGNBLIWPCMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iodophenpropit dihydrobromide
CAS: 145196-87-8
CID: 24978528
Formula: C15H21Br2IN4S
MW: 576.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass575.88779
Monoisotopic Mass573.88984
Topological Polar Surface Area92.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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