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Gabapentin hydrochloride

Gabapentin hydrochloride structure

CAS No:
60142-95-2
Formula:
C9H17NO2.ClH
Chemical Name:
Gabapentin hydrochloride
Synonyms:
Cyclohexaneacetic acid,1-(aminomethyl)-,hydrochloride (1:1);Cyclohexaneacetic acid,1-(aminomethyl)-,hydrochloride;Gabapentin hydrochloride;2-(1-(Aminomethyl)cyclohexyl)acetic acid hydrochloride
Categories:
Biochemical Engineering > Inhibitors

Description

Gabapentin (Neurontin) is a pharmaceutical drug, specifically a GABA analog. It was originally developed to treat epilepsy, and currently is also used to relieve neuropathic pain.IC50 Value: 140 nM (α2δ subunit of calcium channel) [1]Target: Calcium Channelin vitro: Gabapentin, baclofen and CGP 44532 all reduced the electrically stimulated release of [3H]glutamic acid (IC50=20 microM, 0.8 microM and 2 microM, respectively). Gabapentin was without effect on the release of [3H]GABA, whilst

Gabapentin hydrochloride Basic Attributes

Molecular Weight：

213.73

Exact Mass：

207.10300

EC Number：

262-075-8

UNII：

N0PY5N5AFW

DSSTox ID：

DTXSID80208880

Characteristics

PSA：

63.32000

XLogP3：

2.87260

Melting Point：

122-124 °C

Boiling Point：

314.4ºC at 760mmHg

Flash Point：

144ºC

Safety Information

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 3 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:207.70
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:207.1026065
Monoisotopic Mass:207.1026065
Topological Polar Surface Area:63.3
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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