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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H27NO
Molecular Weight 261.403
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOHEXANAMINE, N-(3-ETHOXYPROPYL)-1-PHENYL-

SMILES

CCOCCCNC1(CCCCC1)c2ccccc2

InChI

InChIKey=MUDHHWLZEUJOQU-UHFFFAOYSA-N
InChI=1S/C17H27NO/c1-2-19-15-9-14-18-17(12-7-4-8-13-17)16-10-5-3-6-11-16/h3,5-6,10-11,18H,2,4,7-9,12-15H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H27NO
Molecular Weight 261.403
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 07:51:45 UTC 2021
Edited
by admin
on Sat Jun 26 07:51:45 UTC 2021
Record UNII
X1YWK0A61T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOHEXANAMINE, N-(3-ETHOXYPROPYL)-1-PHENYL-
Systematic Name English
N-(3-ETHOXYPROPYL)-1-PHENYLCYCLOHEXANAMINE
Systematic Name English
PCEPA
Common Name English
Code System Code Type Description
FDA UNII
X1YWK0A61T
Created by admin on Sat Jun 26 07:51:45 UTC 2021 , Edited by admin on Sat Jun 26 07:51:45 UTC 2021
PRIMARY
PUBCHEM
23584939
Created by admin on Sat Jun 26 07:51:45 UTC 2021 , Edited by admin on Sat Jun 26 07:51:45 UTC 2021
PRIMARY
CAS
836627-78-2
Created by admin on Sat Jun 26 07:51:45 UTC 2021 , Edited by admin on Sat Jun 26 07:51:45 UTC 2021
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
MINOR
METABOLIC ENZYME -> SUBSTRATE
MAJOR
METABOLIC ENZYME -> SUBSTRATE
MAJOR
Related Record Type Details
METABOLITE -> PARENT