Compound Summary
gabapentin
Compound Information
gabapentin
Compound Name: | gabapentin |
Compound CID: | 3446 |
Synonyms: | gabapentin 60142-96-3 Neurontin 1-(Aminomethyl)cyclohexaneacetic acid Gabapentine More... |
Iupac Name: | 2-[1-(aminomethyl)cyclohexyl]acetic acid |
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 |
Canonical Smiles: | C1CCC(CC1)(CC(=O)O)CN |
Isomeric Smiles: | C1CCC(CC1)(CC(=O)O)CN |
Molecular Weight: | 171.24 |
Molecular Formula: | C9H17NO2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
gabapentin
Molecular Weight: | 171.24 |
Molecular Formula: | C9H17NO2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 12 |
Complexity: | 162 |
Synonyms
gabapentin
| gabapentin | gabapentin |
|---|---|
gabapentin |
60142-96-3 |
Neurontin |
1-(Aminomethyl)cyclohexaneacetic acid |
Gabapentine |
Aclonium |
Gabapetin |
2-1-(aminomethyl)cyclohexylacetic acid |
Gabapentinum |
2-(1-(aminomethyl)cyclohexyl)acetic acid |
Fanatrex |
Gabapentino |
Serada |
1-(AMINOMETHYL)CYCLOHEXYLACETIC ACID |
(1-Aminomethyl-cyclohexyl)-acetic acid |
Cyclohexaneacetic acid, 1-(aminomethyl)- |
gabapentina |
Gralise |
Go 3450 |
Goe-3450 |
GOE 2450 |
CI 945 |
CI-945 |
C9H17NO2 |
DM-1796 |
GOE 3450 |
UNII-6CW7F3G59X |
Gabarone |
1-(Aminomethyl)-cyclohexaneacetic acid |
DM-5689 |
MFCD00865286 |
CHEMBL940 |
GABAPENTIN; NEURONTIN |
6CW7F3G59X |
CHEBI:42797 |
Gabapentino Spanish |
Gabapentine INN-French |
Gabapentinum INN-Latin |
NCGC00015466-08 |
Gabapen |
DSSTox_CID_74 |
Gabapentino INN-Spanish |
Vultin |
CAS-60142-96-3 |
Gabapentin GR |
DSSTox_RID_75350 |
DSSTox_GSID_20074 |
GBN |
gabapentinium |
gabapentin (Neurontin) |
Neuontin |
Sefelsa |
Therapentin-90 |
Neurontin (TN) |
CCRIS 7210 |
HSDB 7364 |
SR-01000000019 |
EINECS 262-076-3 |
BRN 2359739 |
Neurentin |
Gabapentin-ER |
Novo-Gabapentine |
Gabapentin, solid |
Gabapentin USAN:USP:INN:BAN |
Gabapentin solution |
DDS-2003 |
Prestwick_151 |
1-(Aminomethyl)cyclohexaneaceticAcid |
Gralise (TN) |
GABAPETINE |
Tocris-0806 |
Lopac-G-154 |
Prestwick0_000861 |
Prestwick1_000861 |
Prestwick2_000861 |
Prestwick3_000861 |
G-154 |
SCHEMBL8343 |
Lopac0_000582 |
BSPBio_000901 |
Gabapentin (JAN/USP/INN) |
MLS000069358 |
BIDD:GT0656 |
SPBio_002822 |
BPBio1_000993 |
GTPL5483 |
ZINC4949 |
DTXSID0020074 |
HMS1570N03 |
HMS2089J03 |
HMS2097N03 |
HMS2236O03 |
HMS3261F06 |
HMS3650A20 |
HMS3714N03 |
1-aminomethyl cyclohexaneacetic acid |
1-aminomethylcyclohexane acetic acid |
ACT03340 |
BCP25698 |
HY-A0057 |
1-(aminomethyl)cyclohexanacetic acid |
Tox21_110157 |
Tox21_500582 |
BBL010794 |
BDBM50080153 |
NSC742194 |
s2133 |
SBB066157 |
STK598009 |
1-(aminomethyl)cyclohexyl-acetic Acid |
1-amino methyl cyclohexane-acetic acid |
AKOS000280865 |
Tox21_110157_1 |
1-Aminomethyl-1cyclohexane-acetic acid |
2-(aminomethyl)cyclohexylacetic acid |
AB07485 |
AC-1485 |
CCG-204671 |
CS-1545 |
DB00996 |
KS-1064 |
LP00582 |
MCULE-5392848565 |
NSC 742194 |
NSC 759254 |
NSC-742194 |
SDCCGSBI-0050564.P002 |
1-aminomethyl-1-cyclohexane-acetic acid |
NCGC00015466-01 |
NCGC00015466-02 |
NCGC00015466-03 |
NCGC00015466-04 |
NCGC00015466-05 |
NCGC00015466-06 |
NCGC00015466-07 |
NCGC00015466-09 |
NCGC00015466-11 |
NCGC00015466-27 |
NCGC00016891-01 |
NCGC00021545-02 |
NCGC00021545-04 |
NCGC00021545-05 |
NCGC00261267-01 |
SMR000058311 |
SBI-0206904.P001 |
AB0068842 |
AM20070538 |
EU-0100582 |
FT-0626586 |
FT-0668920 |
G0318 |
EN300-52516 |
42G963 |
C07018 |
D00332 |
Gabapentin 100 microg/mL in Acetonitrile:Methanol |
L000733 |
Q410352 |
SR-01000000019-2 |
SR-01000000019-6 |
SR-01000000019-11 |
Z1258578343 |
Gabapentin, European Pharmacopoeia (EP) Reference Standard |
Gabapentin, United States Pharmacopeia (USP) Reference Standard |
Gabapentin, Pharmaceutical Secondary Standard; Certified Reference Material |
Gabapentin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material |
Gabapentin solution, 10 mg/mL in methanol, ampule of 1 mL, certified reference material |
Experimental Data
gabapentin
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -2.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
gabapentin
Statistics Data
gabapentin
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2.000000000000000 | 1 | 1 |
Statistics Data Visualization
gabapentin
