loading...| Preferred Name |
Ioxaglate |
|
| Synonyms |
3-[(N-{3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid ioxaglic acid acide ioxaglique acido ioxaglico acidum ioxaglicum N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid Ioxaglate |
|
| Definitions |
A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an acetyl(methyl)amino group at the 5-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31718 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:6511272 CAS:59017-64-0 LINCS:LSM-3781 Beilstein:8182534 Drug_Central:1472 PMID:15206581 PMID:11275812 KEGG:D01761 Wikipedia:Ioxaglic_acid PMID:6869056 |
|
| definition |
A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an acetyl(methyl)amino group at the 5-position. |
|
| formula |
C24H21I6N5O8 |
|
| has role | ||
| has_exact_synonym |
3-[(N-{3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
ioxaglic acid acide ioxaglique acido ioxaglico acidum ioxaglicum N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid Ioxaglate |
|
| has_RxCUI |
5973 |
|
| id |
CHEBI:31718 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43) |
|
| inchikey |
TYYBFXNZMFNZJT-UHFFFAOYSA-N |
|
| label |
ioxaglic acid Ioxaglate |
|
| mass |
1268.87910 |
|
| monoisotopicmass |
1268.56583 |
|
| notation |
CHEBI:31718 |
|
| prefLabel |
Ioxaglate |
|
| smiles |
CNC(=O)c1c(I)c(N(C)C(C)=O)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c2I)c1I |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38800 http://purl.obolibrary.org/obo/CHEBI_22723 |