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| IUPAC Name: | 2-[1-(2-amino-2-oxoethyl)cyclohexyl]acetic acid |
| Description: | 1,1-Cyclohexanediacetic acid monoamide (CAS# 99189-60-3) is an impurity of Gabapentin (G117250), an amino acid structurally related to γ-Aminobutyric Acid (GABA), designed to cross the blood brain barrier. Gabapentin is used as an anticonvulsant. |
| Molecular Weight: | 199.25 |
| Molecular Formula: | C10H17NO3 |
| Canonical SMILES: | C1CCC(CC1)(CC(=O)N)CC(=O)O |
| InChI: | InChI=1S/C10H17NO3/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H2,11,12)(H,13,14) |
| InChI Key: | QJGSJXLCJRXTRY-UHFFFAOYSA-N |
| Boiling Point: | 443.6 ℃ at760 mmHg |
| Melting Point: | 143-146 ℃ |
| Purity: | 99 % |
| Density: | 1.135 g/cm3 |
| Appearance: | White powder |
| MDL: | MFCD02181086 |
| LogP: | 1.98730 |
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2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
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