Responsive image

Common name


Gabapentin

IUPAC name


2-[1-(aminomethyl)cyclohexyl]acetic acid

SMILES


NCC1(CC(O)=O)CCCCC1

Compound class


Anti-Anxiety Agents; Antiparkinson Agents; Analgesics; Anticonvulsants; Calcium Channel Blockers; Antimanic Agents; Excitatory Amino Acid Antagonists; Nervous System; Antiepileptics;

Therapeutic area


For the management of postherpetic neuralgia in adults and as adjunctive therapy in the treatment of partial seizures with and without secondary generalization in patients over 12 years of age with epilepsy.

Common name


Gabapentin

IUPAC name


2-[1-(aminomethyl)cyclohexyl]acetic acid

SMILES


NCC1(CC(O)=O)CCCCC1

INCHI


InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)

FORMULA


C9H17NO2

Responsive image

Common name


Gabapentin

IUPAC name


2-[1-(aminomethyl)cyclohexyl]acetic acid

Molecular weight


171.237

clogP


1.241

clogS


-1.355

HBond Acceptor


2

HBond Donor


3

Total Polar
Surface Area


63.32

Number of Rings


1

Rotatable Bond


3

Drug ID Common name Structure CAS SMILE Frequency
FDBF00004 acetic acid Responsive image CC(=O)O 0.0687
FDBF00355 cyclohexane Responsive image C1CCCCC1 0.0127
FDBF02248 2-cyclohexylacetic acid Responsive image C(C(=O)O)C1CCCCC1 0.0003
FDBF02249 cyclohexylmethanamine Responsive image NCC1CCCCC1 0.0007
4 , 1