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Details

Stereochemistry ACHIRAL
Molecular Formula C14H19NO2
Molecular Weight 233.3067
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((1-PHENYLCYCLOHEXYL)AMINO)ACETIC ACID

SMILES

c1ccc(cc1)C2(CCCCC2)NCC(=O)O

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)

HIDE SMILES / InChI

Molecular Formula C14H19NO2
Molecular Weight 233.3067
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 Sat Jun 26 15:02:44 UTC 2021
Edited
by admin
on Sat Jun 26 15:02:44 UTC 2021
Record UNII
6VR0Y5Q8QJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((1-PHENYLCYCLOHEXYL)AMINO)ACETIC ACID
Systematic Name English
GLYCINE, N-(1-PHENYLCYCLOHEXYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
6VR0Y5Q8QJ
Created by admin on Sat Jun 26 15:02:44 UTC 2021 , Edited by admin on Sat Jun 26 15:02:44 UTC 2021
PRIMARY
CAS
1072895-10-3
Created by admin on Sat Jun 26 15:02:44 UTC 2021 , Edited by admin on Sat Jun 26 15:02:44 UTC 2021
PRIMARY
PUBCHEM
145996795
Created by admin on Sat Jun 26 15:02:44 UTC 2021 , Edited by admin on Sat Jun 26 15:02:44 UTC 2021
PRIMARY
Related Record Type Details
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