iofratol (CHEBI:750548)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.

CHEBI:750548 - iofratol

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:750548
ChEBI Name	iofratol
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C31H36I6N6O13
Net Charge	0
Average Mass	1462.082
Monoisotopic Mass	1461.66087
SMILES	C[C@H](O)C(=O)Nc1c(I)c(C(=O)NCC(O)CNC(=O)c2c(I)c(NC(=O)[C@H](C)O)c(I)c(C(=O)NC(CO)CO)c2I)c(I)c(C(=O)NC(CO)CO)c1I
InChI	InChI=1S/C31H36I6N6O13/c1-9(48)26(51)42-24-20(34)14(18(32)16(22(24)36)30(55)40-11(5-44)6-45)28(53)38-3-13(50)4-39-29(54)15-19(33)17(31(56)41-12(7-46)8-47)23(37)25(21(15)35)43-27(52)10(2)49/h9-13,44-50H,3-8H2,1-2H3,(H,38,53)(H,39,54)(H,40,55)(H,41,56)(H,42,51)(H,43,52)/t9-,10-/m0/s1
InChIKey	NNZBBKHCMKTQJQ-UWVGGRQHSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	iofratol (CHEBI:750548) is a amidobenzoic acid (CHEBI:48470)

INN	Source
iofratol	WHO MedNet