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IEM 1460

CAT: 0607-B6811-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6811-50Size:50 mg
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Description
AMPA receptors blocker
CAS Number
121034-89-7
Product Name Alternative
5-(((1s,3R,5S,7s)-adamantan-1-ylmethyl)amino)-N,N,N-trimethylpentan-1-aminium bromide hydrobromide
Field of Research
Membrane Transporter Ion Channel AMPAR
Purity
0.98
Form
A white powder
Solubility
Soluble in DMSO
Smiles
C[N+](C)(C)CCCCCNC[C@]1(C[C@@H]2C3)C[C@@H]3C[C@H](C2)C1.Br.[Br-]
Molecular Formula
C19H37N2Br·HBr
Molecular Weight
454.33
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Iem 1460

structure in first source

CAS Number121034-89-7
PubChem CID6604954
IUPAC Name5-(1-adamantylmethylamino)pentyl-trimethylazanium;bromide;hydrobromide
Molecular FormulaC19H38Br2N2
Molecular Weight454.3
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity301
SMILES
C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2.Br.[Br-]
InChI
InChI=1S/C19H37N2.2BrH/c1-21(2,3)8-6-4-5-7-20-15-19-12-16-9-17(13-19)11-18(10-16)14-19;;/h16-18,20H,4-15H2,1-3H3;2*1H/q+1;;/p-1
InChIKey
CQTDZUSQSTUZDA-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Iem 1460
CAS: 121034-89-7
CID: 6604954
Formula: C19H38Br2N2
MW: 454.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight454.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass454.13812
Monoisotopic Mass452.14017
Topological Polar Surface Area12 Ų
Heavy Atom Count23
Formal Charge0
Complexity301
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