loading...| Preferred Name |
gadodiamide hydrate |
| Synonyms |
gadodiamidum Gadodiamide hydrate Gadodiamide gadolinium 5,8-bis(carboxylatomethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oate hydrate Omniscan [N,N-bis(2-{[(carboxy-kappaO)methyl][2-(methylamino)-2-(oxo-kappaO)ethyl]amino-kappaN}ethyl)glycinato(3-)-kappa(2)N,O]gadolinium--water (1/1) gadolinium [bis(2-{(carboxylatomethyl)[2-(methylamino)-2-oxoethyl]amino}ethyl)amino]acetate--water (1/1) gadodiamida |
| Definitions |
The hydrate of gadodiamide. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_31642 |
| charge |
0 |
| database_cross_reference |
CAS:122795-43-1 DrugBank:DB00225 KEGG:D01645 Gmelin:898533 KEGG:C13106 |
| definition |
The hydrate of gadodiamide. |
| formula |
C16H28GdN5O9 |
| has part | |
| has_exact_synonym |
Gadodiamide hydrate [N,N-bis(2-{[(carboxy-kappaO)methyl][2-(methylamino)-2-(oxo-kappaO)ethyl]amino-kappaN}ethyl)glycinato(3-)-kappa(2)N,O]gadolinium--water (1/1) |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
gadodiamidum Gadodiamide gadolinium 5,8-bis(carboxylatomethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oate hydrate Omniscan gadolinium [bis(2-{(carboxylatomethyl)[2-(methylamino)-2-oxoethyl]amino}ethyl)amino]acetate--water (1/1) gadodiamida |
| id |
CHEBI:31642 |
| in_subset | |
| inchi |
InChI=1S/C16H29N5O8.Gd.H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;1H2/q;+3;/p-3 |
| inchikey |
XPCLDSMKWNNKOM-UHFFFAOYSA-K |
| label |
gadodiamide hydrate |
| mass |
591.67000 |
| monoisotopicmass |
592.113 |
| notation |
CHEBI:31642 |
| prefLabel |
gadodiamide hydrate |
| smiles |
[H]O[H].CNC1=[O][Gd+3]234567[O-]C(=O)C[N]2(CC[N]3(CC(=O)[O-]4)C1)CC[N]5(CC(=O)[O-]6)CC(NC)=[O]7 |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_31642 | Ontology for Biomedical Investigations | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_31642 | Ontology for Biomedical Investigations | SAME_URI |