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Gabapentin

CAT: 0931-T0702-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T0702-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60142-96-3
Target
GABA Receptor, Calcium Channel
Related Pathways
Membrane transporter/Ion channel, Neuroscience, Metabolism
Purity
0.9991
Bioactivity
Gabapentin (Neurontin) is an Anti-epileptic Agent. The physiologic effect of gabapentin is by means of Decreased Central Nervous System Disorganized Electrical Activity.
Smiles
NCC1(CC(O)=O)CCCCC1
Molecular Formula
C9H17NO2
Molecular Weight
171.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gabapentin

Gabapentin is a gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome. It has a role as an anticonvulsant, a xenobiotic, a calcium channel blocker and an environmental contaminant. It is functionally related to a gamma-aminobutyric acid.

CAS Number60142-96-3
PubChem CID3446
IUPAC Name2-[1-(aminomethyl)cyclohexyl]acetic acid
Molecular FormulaC9H17NO2
Molecular Weight171.24
XLogP-1.1
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
C1CCC(CC1)(CC(=O)O)CN
InChI
InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
InChIKey
UGJMXCAKCUNAIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gabapentin
CAS: 60142-96-3
CID: 3446
Formula: C9H17NO2
MW: 171.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.24
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass171.125928785
Monoisotopic Mass171.125928785
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
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

Alternative Products

CatalogName
RM-G021600-01Gabapentin

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