(S)-3-(aminomethyl)-5-methylhexanoic acid
CAS Number: 148553-50-8
Molecular Mass: 159.23 g/mol
Formula: C8H17NO2
Smiles: CC(C)C[C@H](CN)CC(=O)O
Synonymes:
(S)-3-(aminomethyl)-5-methylhexanoic acid, Pregabalin, 148553-50-8, Lyrica, (S)-3-(Aminomethyl)-5-methylhexanoic acid, 3-isobutyl GABA, (3S)-3-(aminomethyl)-5-methylhexanoic acid, CI-1008, Pregabaline, Pregabalina, Vronogabic, Pregabalin mylan, Pregabalin sandoz, Pregabalin zentiva, (R-)-3-isobutyl GABA, PD-144723, Pregabalin sandoz gmbh, CI 1008, (S)-3-Isobutyl GABA, PD 144723, DTXSID1045950, LYRICA CR, 55JG375S6M, YNP-1807, NSC-759256, Hexanoic acid, 3-(aminomethyl)-5-methyl-, (S)-, PREGABALIN MYLAN PHARMA, DTXCID9025950, CHEBI:64356, pregabalinum, Lecaent, Rewisca, Alzain, Axalid, 3-(aminomethyl)-5-methyl-hexanoic acid, 3 isobutyl GABA, GABA, 3-isobutyl, BONQAT, RefChem:6163, (S+)-3-isobutyl GABA, Pregabalin Extended Release, PREGABALIN capsules, CV, N03AX16, CI1008, 1008, CI, 604-639-1, NSC729898, (S)-Pregabalin, Hexanoic acid, 3-(aminomethyl)-5-methyl-, (3S)-, CHEMBL1059, (3S)-3-(aminomethyl)-5-methyl-hexanoic acid, Pregabalin [USAN], Nervalin, Pregablin, UNII-55JG375S6M, Pregabalin CRS, HSDB 7530, Pregabalin [USAN:INN:BAN:JAN], NCGC00095186-01, Lyrica (TN), (S)-3-aminomethyl-5-methylhexanoic acid, PREGABALIN [MI], (S)-3-(Aminomethyl)-5-methylhexanoicacid, PREGABALIN [INN], PREGABALIN [JAN], PREGABALIN [HSDB], PREGABALIN [VANDF], PREGABALIN [MART.], SCHEMBL8227, Pregabalin Impurity Standard, PREGABALIN [USP-RS], PREGABALIN [WHO-DD], orb389663, PREGABALIN [EMA EPAR], (S)-(+)-4-amino-3-(2-methylpropyl)butanoic acid, GTPL5484, DEA No. 2782, Pregabalin, 1mg/ml in Methanol, Pregabalin (JP19/USAN/INN), PREGABALIN [ORANGE BOOK], PREGABALIN [EP MONOGRAPH], GLXC-07956, HMS3715J16, PREGABALIN [USP MONOGRAPH], Pregabalin 1.0 mg/ml in Methanol, Tox21_111475, BDBM50164279, MFCD00917044, AKOS001476611, AKOS005145504, Lyrica, CI-1008, PD-144723, AC-1158, CCG-221247, CS-1247, DB00230, KS-5378, NSC 759256, NCGC00095186-11, NCGC00346738-01, 121GE001, HY-17414, PD144723, (S)-3-Aminomethyl-5-methyl-hexanoic acid, CAS-148553-50-8, NS00000537, P2840, (S)-(+)-3-Aminomethyl-5-Methylhexanoic Acid, D02716, AB01563007_01, F418830, Q412174, SR-01000942257, Hexanoic acid, 3-(aminomethyl)-5-ethyl-, (3S)-, Q-201617, SR-01000942257-2, BRD-K66786476-001-01-3, BRD-K66786476-003-01-9, Pregabalin, EuropePharmacopoeia (EP) Reference Standard, Pregabalin Working Standard (Secondary Reference Standard), 1414928-41-8
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Water | 283.15 | - | 30.96 | [476] |
| Water | 298.15 | - | 32.98 | [476] |
| Water | 308.15 | - | 35.05 | [476] |
| Water | 315.65 | - | 39.3 | [476] |
| Water | 323.15 | - | 42.65 | [476] |
| Water | 328.15 | - | 46.52 | [476] |
| Water | 338.15 | - | 55.9 | [476] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 362.7728 |
| PMI2 | 697.6246 |
| PMI3 | 846.1615 |
| NPR1 | 0.4287 |
| NPR2 | 0.8245 |
| RadiusOfGyration | 2.4468 |
| InertialShapeFactor | 0.0023 |
| Eccentricity | 0.9034 |
| Asphericity | 0.2024 |
| SpherocityIndex | 0.5123 |
| PBF | 0.9637 |