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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H28NO
Molecular Weight 298.4424
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of EMETONIUM

SMILES

CC[N+](C)(CC)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=IHFMXHPNVAVTCJ-UHFFFAOYSA-N
InChI=1S/C20H28NO/c1-4-21(3,5-2)16-17-22-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3/q+1

HIDE SMILES / InChI

Molecular Formula C20H28NO
Molecular Weight 298.4424
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:28:34 GMT 2023
Edited
by admin
on Sat Dec 16 01:28:34 GMT 2023
Record UNII
VE7PHM5QLO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMETONIUM
WHO-DD  
Common Name English
ETHANAMINIUM, 2-(DIPHENYLMETHOXY)-N,N-DIETHYL-N-METHYL-
Systematic Name English
DIETHYL(2-(DIPHENYLMETHOXY)ETHYL)METHYLAMMONIUM
Systematic Name English
Emetonium [WHO-DD]
Common Name English
Classification Tree Code System Code
WHO-ATC A03AB16
Created by admin on Sat Dec 16 01:28:34 GMT 2023 , Edited by admin on Sat Dec 16 01:28:34 GMT 2023
Code System Code Type Description
PUBCHEM
80085
Created by admin on Sat Dec 16 01:28:34 GMT 2023 , Edited by admin on Sat Dec 16 01:28:34 GMT 2023
PRIMARY
CAS
19213-48-0
Created by admin on Sat Dec 16 01:28:34 GMT 2023 , Edited by admin on Sat Dec 16 01:28:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID20172778
Created by admin on Sat Dec 16 01:28:34 GMT 2023 , Edited by admin on Sat Dec 16 01:28:34 GMT 2023
PRIMARY
FDA UNII
VE7PHM5QLO
Created by admin on Sat Dec 16 01:28:34 GMT 2023 , Edited by admin on Sat Dec 16 01:28:34 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
IONIC MOIETY
Related Record Type Details
ACTIVE MOIETY