Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C15H23NO |
| Molecular Weight | 233.3492 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COCCNC1(CCCCC1)C2=CC=CC=C2
InChI
InChIKey=MSZKHYPXVOHFEV-UHFFFAOYSA-N
InChI=1S/C15H23NO/c1-17-13-12-16-15(10-6-3-7-11-15)14-8-4-2-5-9-14/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3
| Molecular Formula | C15H23NO |
| Molecular Weight | 233.3492 |
| 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 15:32:44 GMT 2023
by
admin
on
Sat Dec 16 15:32:44 GMT 2023
|
| Record UNII |
7I739G61XS
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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7I739G61XS
Created by
admin on Sat Dec 16 15:32:45 GMT 2023 , Edited by admin on Sat Dec 16 15:32:45 GMT 2023
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2201-57-2
Created by
admin on Sat Dec 16 15:32:45 GMT 2023 , Edited by admin on Sat Dec 16 15:32:45 GMT 2023
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46839344
Created by
admin on Sat Dec 16 15:32:45 GMT 2023 , Edited by admin on Sat Dec 16 15:32:45 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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METABOLIC ENZYME -> SUBSTRATE |
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METABOLIC ENZYME -> INDUCER |
MAJOR
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLITE -> PARENT |
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
|
||
|
METABOLITE -> PARENT |
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
|
||
|
METABOLITE -> PARENT |
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
|
