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IPAG

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Description
IPAG is a potent σ-receptor antagonist (pKi=4.3) . IPAG can induce cell apoptosis.
CAS Number
193527-91-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
395.28
Molecular Formula
C17H22IN3
Notes
Research use only, not for human use.
Receptor
Opioid Receptor

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...
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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