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IPAG

CAT: 0607-B5007-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5007-50Size:50 mg
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Description
Potent σ-receptor antagonist
CAS Number
193527-91-2
Product Name Alternative
(E)-2-((1R,2r,3S,5r,7s)-adamantan-2-yl)-1-(4-iodophenyl)guanidine
Field of Research
GPCR G protein Sigma Receptor
Purity
0.98
Form
White solid
Solubility
Soluble to 50 mM in ethanol and to 100 mM in DMSO
Smiles
IC1=CC=C(C=C1)N/C(N)=N/[C@@H]2[C@H]3C[C@@H](C4)C[C@@H]2C[C@H]4C3
Molecular Formula
C17H22IN3
Molecular Weight
395.29
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

1-(4-Iodophenyl)-3-(2-adamantyl)guanidine

IPAG is a potent sigma-receptor antagonist.

CAS Number193527-91-2
PubChem CID4239764
IUPAC Name2-(2-adamantyl)-1-(4-iodophenyl)guanidine
Molecular FormulaC17H22IN3
Molecular Weight395.28
XLogP3.6
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity386
SMILES
C1C2CC3CC1CC(C2)C3N=C(N)NC4=CC=C(C=C4)I
InChI
InChI=1S/C17H22IN3/c18-14-1-3-15(4-2-14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)
InChIKey
UUKPIWYXWLJPJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Iodophenyl)-3-(2-adamantyl)guanidine
CAS: 193527-91-2
CID: 4239764
Formula: C17H22IN3
MW: 395.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.28
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass395.08585
Monoisotopic Mass395.08585
Topological Polar Surface Area50.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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