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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H16I3NO5
Molecular Weight 671.0047
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IOBUTOIC ACID

SMILES

OC(=O)CCCOC1=C(I)C=C(I)C(C(=O)N2CCOCC2)=C1I

InChI

InChIKey=AWPDPEBRIXSCQG-UHFFFAOYSA-N
InChI=1S/C15H16I3NO5/c16-9-8-10(17)14(24-5-1-2-11(20)21)13(18)12(9)15(22)19-3-6-23-7-4-19/h8H,1-7H2,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C15H16I3NO5
Molecular Weight 671.0047
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:27:20 GMT 2025
Edited
by admin
on Mon Mar 31 18:27:20 GMT 2025
Record UNII
ZJC1Z4E09L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
iobutoic acid [INN]
Preferred Name English
IOBUTOIC ACID
INN  
INN  
Official Name English
4-(2,4,6-TRIIODO-3-(MORPHOLINOCARBONYL)PHENOXY)BUTYRIC ACID
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C28500
Created by admin on Mon Mar 31 18:27:20 GMT 2025 , Edited by admin on Mon Mar 31 18:27:20 GMT 2025
Code System Code Type Description
EVMPD
SUB08206MIG
Created by admin on Mon Mar 31 18:27:20 GMT 2025 , Edited by admin on Mon Mar 31 18:27:20 GMT 2025
PRIMARY
INN
2518
Created by admin on Mon Mar 31 18:27:20 GMT 2025 , Edited by admin on Mon Mar 31 18:27:20 GMT 2025
PRIMARY
CAS
13445-12-0
Created by admin on Mon Mar 31 18:27:20 GMT 2025 , Edited by admin on Mon Mar 31 18:27:20 GMT 2025
PRIMARY
PUBCHEM
3038464
Created by admin on Mon Mar 31 18:27:20 GMT 2025 , Edited by admin on Mon Mar 31 18:27:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID10158703
Created by admin on Mon Mar 31 18:27:20 GMT 2025 , Edited by admin on Mon Mar 31 18:27:20 GMT 2025
PRIMARY
SMS_ID
100000083422
Created by admin on Mon Mar 31 18:27:20 GMT 2025 , Edited by admin on Mon Mar 31 18:27:20 GMT 2025
PRIMARY
ChEMBL
CHEMBL2106333
Created by admin on Mon Mar 31 18:27:20 GMT 2025 , Edited by admin on Mon Mar 31 18:27:20 GMT 2025
PRIMARY
FDA UNII
ZJC1Z4E09L
Created by admin on Mon Mar 31 18:27:20 GMT 2025 , Edited by admin on Mon Mar 31 18:27:20 GMT 2025
PRIMARY
NCI_THESAURUS
C65926
Created by admin on Mon Mar 31 18:27:20 GMT 2025 , Edited by admin on Mon Mar 31 18:27:20 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY