498-95-3
Product Name:
Nipecotic acid
Formula:
C6H11NO2
Synonyms:
(R)-(–)-Nipecotic acid;(±)-β-Homoproline;3-Carboxypiperidine;3-Piperidinecarboxylic acid;Hexahydronicotinic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 0.4 [ug/mL] (The mean of the results at pH 7.4) |
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Collision Cross Section | 124.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
Signal word | Warning |
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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 |
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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.