| Identification | Back Directory | [Name]
3-isobutylglutaric acid | [CAS]
75143-89-4 | [Synonyms]
Pregabalin IMpurity I
Pregabalin Diacid-Imp
Isobutyl Glutaric Acid
3-isobutylglutaric acid
3-ISOBUTYLPENTANEDIOC ACID
3-Isobutylglutaric acid 99%
3-Isobutylpentanedioic acid
3-Isobutylglutaric acid(99%)
Pregabalin Isobutylglutaric acid
Pregabalin 3-Carboxymethyl Impurity
3-(2-Methylpropyl)pentanedioic Acid
Pentanedioic acid,3-(2-Methylpropyl)-
Pregabalin Impurity B(3-IsoButylglutaricAcid) | [EINECS(EC#)]
1592732-453-0 | [Molecular Formula]
C9H16O4 | [MDL Number]
MFCD15529751 | [MOL File]
75143-89-4.mol | [Molecular Weight]
188.22 |
| Chemical Properties | Back Directory | [Melting point ]
47 °C | [Boiling point ]
326.2±15.0 °C(Predicted) | [density ]
1.126±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Store in freezer, under -20°C | [solubility ]
Methanol (Slightly), Water (Slightly) | [form ]
Solid | [pka]
4.19±0.10(Predicted) | [color ]
White to Pale Brown | [Major Application]
pharmaceutical small molecule | [InChI]
InChI=1S/C9H16O4/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13) | [InChIKey]
UATSLDZQNXAKMA-UHFFFAOYSA-N | [SMILES]
C(O)(=O)CC(CC(C)C)CC(O)=O |
| Hazard Information | Back Directory | [Chemical Properties]
Pale Brown Solid | [Uses]
An impurity of Pregabalin (P704800) with anticonvulsant properties. | [Application]
3-Butylglutaric acid is an intermediate in the synthesis of pregabalin.Pregabalin is approved by the United States Food and Drug Administration (FDA) to treat neuropathic pain associated with diabetic peripheral neuropathy, spinal cord injury, and postherpetic neuralgia. Pregabalin is FDA-approved for the treatment of fibromyalgia. Pregabalin also has FDA approval as adjunctive therapy for partial-onset seizures in adults with epilepsy. | [Synthesis]
3-isobutylglutaric acid, a potential impurity which is base hydrolyzed product during Hofmann reaction, was synthesized by the reaction of (R)-(-)-3-carbamoylmethyl-5-methylhexanoic acid with excess of sodium hydroxide at elevated temperature[1].
 | [References]
[1] Sripathi, S., Somesetti, N. R., Veeramalla, R., Challa, N. R., Peddi, S., Karnati, V. R. (2010). Synthesis and characterization of impurities of an anticonvulsant drug, Pregabalin. Arkivoc, 2010 1. https://doi.org/10.3998/ARK.5550190.0011.A22 |
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| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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