U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H25NO
Molecular Weight 247.3764
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOHEXANAMINE, N-(2-ETHOXYETHYL)-1-PHENYL-

SMILES

CCOCCNC1(CCCCC1)c2ccccc2

InChI

InChIKey=PRQVCBDFWYTXDD-UHFFFAOYSA-N
InChI=1S/C16H25NO/c1-2-18-14-13-17-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h3,5-6,9-10,17H,2,4,7-8,11-14H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H25NO
Molecular Weight 247.3764
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
PubMed

PubMed

TitleDatePubMed
New designer drugs N-(1-phenylcyclohexyl)-2-ethoxyethanamine (PCEEA) and N-(1-phenylcyclohexyl)-2-methoxyethanamine (PCMEA): Studies on their metabolism and toxicological detection in rat urine using gas chromatographic/mass spectrometric techniques.
2008 Mar
Substance Class Chemical
Created
by admin
on Sat Jun 26 05:32:05 UTC 2021
Edited
by admin
on Sat Jun 26 05:32:05 UTC 2021
Record UNII
HR7BX09IBP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOHEXANAMINE, N-(2-ETHOXYETHYL)-1-PHENYL-
Systematic Name English
N-(1-PHENYL-CYCLOHEXYL)-2-ETHOXYETHANAMINE
Systematic Name English
PCEEA
Common Name English
N-(2-ETHOXYETHYL)-1-PHENYLCYCLOHEXANAMINE
Systematic Name English
Code System Code Type Description
CAS
1072895-05-6
Created by admin on Sat Jun 26 05:32:05 UTC 2021 , Edited by admin on Sat Jun 26 05:32:05 UTC 2021
PRIMARY
PUBCHEM
46839345
Created by admin on Sat Jun 26 05:32:05 UTC 2021 , Edited by admin on Sat Jun 26 05:32:05 UTC 2021
PRIMARY
FDA UNII
HR7BX09IBP
Created by admin on Sat Jun 26 05:32:05 UTC 2021 , Edited by admin on Sat Jun 26 05:32:05 UTC 2021
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
MAJOR
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
METABOLITE -> PARENT
This metabolite was detected in rat urine. However, according to the 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