Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CNC1(CCCCC1)C2=CC=CC=C2
InChI
InChIKey=CHJWJBNMDKGNRF-UHFFFAOYSA-N
InChI=1S/C14H19NO2/c16-13(17)11-15-14(9-5-2-6-10-14)12-7-3-1-4-8-12/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,16,17)
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:25:32 UTC 2023
by
admin
on
Sat Dec 16 15:25:32 UTC 2023
|
| Record UNII |
6VR0Y5Q8QJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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6VR0Y5Q8QJ
Created by
admin on Sat Dec 16 15:25:32 UTC 2023 , Edited by admin on Sat Dec 16 15:25:32 UTC 2023
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1072895-10-3
Created by
admin on Sat Dec 16 15:25:32 UTC 2023 , Edited by admin on Sat Dec 16 15:25:32 UTC 2023
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145996795
Created by
admin on Sat Dec 16 15:25:32 UTC 2023 , Edited by admin on Sat Dec 16 15:25:32 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
This metabolite was detected in rat urine. However, according to this journal acticle, “The authors' experience in metabolism and analytical studies on rats and humans support the assumption that the metabolites found in rat urine should also be present in human urine. Therefore, it can be concluded that the procedure described here should also be applicable for human urine screening for PCEEA and/or PCMEA in clinical or forensic cases. However, their differentiation would only be possible through detection of the respective parent drug or unique metabolites.”
URINE
|
||
|
PARENT -> METABOLITE |
This metabolite was detected in rat urine. However, according to this journal acticle, “The authors' experience in metabolism and analytical studies on rats and humans support the assumption that the metabolites found in rat urine should also be present in human urine. Therefore, it can be concluded that the procedure described here should also be applicable for human urine screening for PCEEA and/or PCMEA in clinical or forensic cases. However, their differentiation would only be possible through detection of the respective parent drug or unique metabolites.”
URINE
|
