Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H24N2O4.ClH |
| Molecular Weight | 344.834 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCN(CC)CC(C)(C)COC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChI
InChIKey=FEIWWHYGEWMWRP-UHFFFAOYSA-N
InChI=1S/C16H24N2O4.ClH/c1-5-17(6-2)11-16(3,4)12-22-15(19)13-7-9-14(10-8-13)18(20)21;/h7-10H,5-6,11-12H2,1-4H3;1H
| Molecular Formula | C16H24N2O4 |
| Molecular Weight | 308.3728 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
CNS Activity
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Identification of in vitro and in vivo human metabolites of the new psychoactive substance nitracaine by liquid chromatography coupled to quadrupole time-of-flight mass spectrometry. | 2016-07 |
|
| Headspace analysis of new psychoactive substances using a Selective Reagent Ionisation-Time of Flight-Mass Spectrometer. | 2014-03-01 |
|
| The syntheses, characterization and in vitro metabolism of nitracaine, methoxypiperamide and mephtetramine. | 2013-11-13 |
Sample Use Guides
In Vitro Use Guide
Curator's Comment: It was to investigated the in vitro metabolism of nitracaine, using human liver microsome incubations, to evaluate the cytochrome P450 (CYP) enzyme isoforms responsible for the phase-I metabolism and to compare the information from the in vitro experiments with data resulting from an authentic user's urine sample. Accurate mass spectra of metabolites were obtained using liquid chromatography-quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) and were used in the structural identification of metabolites. Two major and three minor phase-I metabolites were identified from the in vitro experiments. The observed phase-I metabolites were formed through N-deethylation, N,N-deethylation, N-hydroxylation, and de-esterification, with CYP2B6 and CYP2C19 being the main enzymes catalyzing their formation.
Unknown
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 13:15:06 GMT 2025
by
admin
on
Wed Apr 02 13:15:06 GMT 2025
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| Record UNII |
HX96WLK532
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| Record Status |
Validated (UNII)
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| Record Version |
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1784053-27-5
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ACTIVE MOIETY |
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