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498-95-3

498-95-3 structural image
Product Name: Nipecotic acid
Formula: C6H11NO2
Synonyms: (R)-(–)-Nipecotic acid;(±)-β-Homoproline;3-Carboxypiperidine;3-Piperidinecarboxylic acid;Hexahydronicotinic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 0.4 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section 124.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 129.16 g/mol
XLogP3 -2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 129.078978594 g/mol
Monoisotopic Mass 129.078978594 g/mol
Topological Polar Surface Area 49.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 114
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

The identification of nipecotic acid as a specific inhibitor of GABA transport in brain slices has been instrumental for the development of a large number of structurally related analogs as inhibitors of GABA transport in a variety of preparations.