Gabapentin
CAS Number: 60142-96-3
Molecular Mass: 171.24 g/mol
Formula: C9H17NO2
Smiles: NCC1(CC(=O)O)CCCCC1
Synonymes:
Gabapentin, gabapentin, 60142-96-3, Neurontin, 1-(Aminomethyl)cyclohexaneacetic acid, Gabapentine, 2-[1-(aminomethyl)cyclohexyl]acetic acid, Aclonium, Gabapetin, Gabapentinum, gabapentina, Gabapentino, Fanatrex, Gralise, Cyclohexaneacetic acid, 1-(aminomethyl)-, Goe-3450, 2-(1-(aminomethyl)cyclohexyl)acetic acid, CI-945, Go 3450, Gabarone, DM-1796, GOE 2450, GOE 3450, CI 945, NSC-742194, BRN 2359739, 6CW7F3G59X, DTXSID0020074, NSC-759254, DTXCID5074, CHEBI:42797, NovoGabapentin, ApoGabapentin, Apo Gabapentin, Novo Gabapentin, Gabapentin Ratiopharm, RefChem:5849, Gaba 300-EZS, 262-076-3, Serada, (1-Aminomethyl-cyclohexyl)-acetic acid, [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID, 1-(Aminomethyl)-cyclohexaneacetic acid, DM-5689, MFCD00865286, CHEMBL940, GABAPENTIN, NEURONTIN, Gabapen, Gabapentino [Spanish], Gabapentine [INN-French], Gabapentinum [INN-Latin], NCGC00015466-08, Gabapentino [INN-Spanish], Vultin, CAS-60142-96-3, Gabapentin GR, GBN, gabapentinium, gabapentin (Neurontin), Neuontin, Sefelsa, Gabapentin (1.0 mg/mL in Methanol), Therapentin-90, Neurontin (TN), CCRIS 7210, HSDB 7364, SR-01000000019, EINECS 262-076-3, UNII-6CW7F3G59X, Neurentin, Gabapentin?, Aclonium, , Gabapentin-ER, Novo-Gabapentine, Gabapentin CRS, Gabapentin, solid, Gabapentin [USAN:USP:INN:BAN], DDS-2003, Prestwick_151, Gralise (TN), Gabapentin free base, Gabapentin (NIST), CARBATIN, Gabapentin (Standard), Tocris-0806, GABAPENTIN [MI], Lopac-G-154, GABAPENTIN [INN], GABAPENTIN [JAN], Prestwick0_000861, Prestwick1_000861, Prestwick2_000861, Prestwick3_000861, GABAPENTIN [HSDB], GABAPENTIN [USAN], G-154, GABAPENTIN [VANDF], Gabapentin-d10, 1mg/mL, GABAPENTIN [MART.], SCHEMBL8343, GABAPENTIN [USP-RS], GABAPENTIN [WHO-DD], Lopac0_000582, BSPBio_000901, Gabapentin (JAN/USP/INN), MLS000069358, BIDD:GT0656, SPBio_002822, BPBio1_000993, GTPL5483, orb1310370, Gabapentin, 1mg/ml in Methanol, GABAPENTIN [EP IMPURITY], GABAPENTIN [ORANGE BOOK], HY-A0057R, GABAPENTIN [EP MONOGRAPH], GABAPENTIN [USP MONOGRAPH], HMS1570N03, HMS2089J03, HMS2097N03, HMS2236O03, HMS3261F06, HMS3650A20, HMS3714N03, 1-aminomethyl cyclohexaneacetic acid, 1-aminomethylcyclohexane acetic acid, HY-A0057, MSK10209, 1-(aminomethyl)cyclohexanacetic acid, Tox21_110157, Tox21_500582, BBL010794, BDBM50080153, EBC-03348, NSC742194, s2133, SBB066157, STK598009, 1-(aminomethyl)cyclohexyl-acetic Acid, AKOS000280865, Tox21_110157_1, 1-Aminomethyl-1cyclohexane-acetic acid, 2-[(aminomethyl)cyclohexyl]acetic acid, AB07485, AC-1485, CCG-204671, CS-1545, DB00996, FG23631, KS-1064, LP00582, NSC 742194, NSC 759254, 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, MSK10209D10-1000, SBI-0206904.P001, AE1 - Newer Anti-epileptic drug mixtures 1, EU-0100582, G0318, NS00000335, 10B - Known Drug Blood Quantification Sample, EN300-52516, C07018, D00332, 1-(Aminomethyl)cyclohexaneacetic acid, neurontin, F040287, Gabapentin 100 microg/mL in Acetonitrile:Methanol, L000733, Q410352, SR-01000000019-2, SR-01000000019-6, BRD-K62737565-001-09-5, BRD-K62737565-001-10-3, BRD-K62737565-003-02-6, SR-01000000019-11, Z336079954, Gabapentin, European Pharmacopoeia (EP) Reference Standard, Gabapentin, United States Pharmacopeia (USP) Reference Standard, Gabapentin, Pharmaceutical Secondary Standard, Certified Reference Material
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Ethanol | 283.15 | - | 3.978 | [100] |
| Ethanol | 288.15 | - | 4.518 | [100] |
| Ethanol | 293.15 | - | 5.0 | [100] |
| Ethanol | 298.15 | - | 5.47 | [100] |
| Ethanol | 303.15 | - | 6.516 | [100] |
| Ethanol | 308.15 | - | 7.03 | [100] |
| Ethanol | 313.15 | - | 7.684 | [100] |
| Ethanol | 318.15 | - | 8.6 | [100] |
| Ethanol | 323.15 | - | 9.364 | [100] |
| Methanol | 283.15 | - | 30.93 | [100] |
| Methanol | 288.15 | - | 34.08 | [100] |
| Methanol | 293.15 | - | 37.44 | [100] |
| Methanol | 298.15 | - | 40.01 | [100] |
| Methanol | 303.15 | - | 45.01 | [100] |
| Methanol | 308.15 | - | 48.94 | [100] |
| Methanol | 313.15 | - | 53.29 | [100] |
| Methanol | 318.15 | - | 58.36 | [100] |
| Methanol | 323.15 | - | 66.18 | [100] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 369.0457 |
| PMI2 | 820.2986 |
| PMI3 | 906.2502 |
| NPR1 | 0.4072 |
| NPR2 | 0.9052 |
| RadiusOfGyration | 2.4736 |
| InertialShapeFactor | 0.0025 |
| Eccentricity | 0.9133 |
| Asphericity | 0.2275 |
| SpherocityIndex | 0.5660 |
| PBF | 0.9713 |