Preferred Name |
iohexol |
|
Synonyms |
5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide iohexol iohexolum |
|
Definitions |
A benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_31709 |
|
charge |
0 |
|
database_cross_reference |
Reaxys:2406632 KEGG:D01817 CAS:66108-95-0 PMID:15206581 LINCS:LSM-5095 Beilstein:2406632 Drug_Central:1461 PMID:19359533 Wikipedia:Iohexol PMID:24752695 PMID:23847035 PMID:24516530 |
|
definition |
A benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position. |
|
formula |
C19H26I3N3O9 |
|
has_exact_synonym |
5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide iohexol iohexolum |
|
id |
CHEBI:31709 |
|
in_subset | ||
inchi |
InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34) |
|
inchikey |
NTHXOOBQLCIOLC-UHFFFAOYSA-N |
|
label |
iohexol |
|
mass |
821.13790 |
|
monoisotopicmass |
820.88031 |
|
notation |
CHEBI:31709 |
|
prefLabel |
iohexol |
|
RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_37338 |
|
smiles |
CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I |
|
subClassOf |