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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H13NO2
Molecular Weight 179.2157
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Etilefrone

SMILES

CCNCC(=O)C1=CC=CC(O)=C1

InChI

InChIKey=JUDGEOXZWXWNBS-UHFFFAOYSA-N
InChI=1S/C10H13NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,11-12H,2,7H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H13NO2
Molecular Weight 179.2157
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 Wed Apr 02 17:32:03 GMT 2025
Edited
by admin
on Wed Apr 02 17:32:03 GMT 2025
Record UNII
Q8JM62VPD8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Etilefrone
Common Name English
ETILEFRINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Preferred Name English
Ethanone, 2-(ethylamino)-1-(3-hydroxyphenyl)-
Systematic Name English
2-(ethylamino)-1-(3-hydroxyphenyl)ethanone
Systematic Name English
Acetophenone, 2-(ethylamino)-3?-hydroxy-
Systematic Name English
Code System Code Type Description
FDA UNII
Q8JM62VPD8
Created by admin on Wed Apr 02 17:32:03 GMT 2025 , Edited by admin on Wed Apr 02 17:32:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID401268857
Created by admin on Wed Apr 02 17:32:03 GMT 2025 , Edited by admin on Wed Apr 02 17:32:03 GMT 2025
PRIMARY
PUBCHEM
13378071
Created by admin on Wed Apr 02 17:32:03 GMT 2025 , Edited by admin on Wed Apr 02 17:32:03 GMT 2025
PRIMARY
CAS
22510-12-9
Created by admin on Wed Apr 02 17:32:03 GMT 2025 , Edited by admin on Wed Apr 02 17:32:03 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY