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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H17I2NO2
Molecular Weight 497.1099
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IOXYNIL OCTANOATE

SMILES

CCCCCCCC(=O)OC1=C(I)C=C(C=C1I)C#N

InChI

InChIKey=QBEXFUOWUYCXNI-UHFFFAOYSA-N
InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H17I2NO2
Molecular Weight 497.1099
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibition of connexin 43 gap junction channels by the endocrine disruptor ioxynil.
2010-08-15
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:48:02 GMT 2025
Edited
by admin
on Mon Mar 31 18:48:02 GMT 2025
Record UNII
75K1F1JBKR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IOXYNIL OCTANOATE
ISO  
Common Name English
BENTROL L
Preferred Name English
OXYTRIL
Brand Name English
OCTANOIC ACID, 4-CYANO-2,6-DIIODOPHENYL ESTER
Common Name English
IOXYNIL OCTANOATE [ISO]
Common Name English
M&B 11641
Code English
3,5-DIIODO-4-OCTANOYLOXYBENZONITRILE
Systematic Name English
MB-11641
Code English
OCTANOIC ACID, ESTER WITH 4-HYDROXY-3,5-DIIODOBENZONITRILE
Common Name English
IOXYNIL OCTANOATE [MI]
Common Name English
TOTRIL
Brand Name English
STELLOX
Brand Name English
ACTRIL
Brand Name English
3,5-DIIODO-4-N-OCTANOYLOXYBENZONITRILE
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 353400
Created by admin on Mon Mar 31 18:48:02 GMT 2025 , Edited by admin on Mon Mar 31 18:48:02 GMT 2025
Code System Code Type Description
ECHA (EC/EINECS)
223-375-4
Created by admin on Mon Mar 31 18:48:02 GMT 2025 , Edited by admin on Mon Mar 31 18:48:02 GMT 2025
PRIMARY
MERCK INDEX
m11755
Created by admin on Mon Mar 31 18:48:02 GMT 2025 , Edited by admin on Mon Mar 31 18:48:02 GMT 2025
PRIMARY
FDA UNII
75K1F1JBKR
Created by admin on Mon Mar 31 18:48:02 GMT 2025 , Edited by admin on Mon Mar 31 18:48:02 GMT 2025
PRIMARY
ALANWOOD
ioxynil octanoate
Created by admin on Mon Mar 31 18:48:02 GMT 2025 , Edited by admin on Mon Mar 31 18:48:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID8042054
Created by admin on Mon Mar 31 18:48:02 GMT 2025 , Edited by admin on Mon Mar 31 18:48:02 GMT 2025
PRIMARY
CHEBI
81821
Created by admin on Mon Mar 31 18:48:02 GMT 2025 , Edited by admin on Mon Mar 31 18:48:02 GMT 2025
PRIMARY
PUBCHEM
19730
Created by admin on Mon Mar 31 18:48:02 GMT 2025 , Edited by admin on Mon Mar 31 18:48:02 GMT 2025
PRIMARY
CAS
3861-47-0
Created by admin on Mon Mar 31 18:48:02 GMT 2025 , Edited by admin on Mon Mar 31 18:48:02 GMT 2025
PRIMARY