CHEBI:31715 - Iotrolan

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ChEBI Name Iotrolan ChEBI ID CHEBI:31715 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C37H48I6N6O18 C37H48I6N6O18 Net Charge 0 Average Mass 1626.235 Monoisotopic Mass 1625.72933 InChI InChI=1S/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67) InChIKey XUHXFSYUBXNTHU-UHFFFAOYSA-N SMILES N(C(CC(N(C)C1=C(I)C(C(NC(C(CO)O)CO)=O)=C(C(=C1I)C(NC(C(CO)O)CO)=O)I)=O)=O)(C)C2=C(I)C(C(NC(C(CO)O)CO)=O)=C(C(=C2I)C(NC(C(CO)O)CO)=O)I ChEBI Ontology Outgoing Iotrolan (CHEBI:31715) is a organic molecular entity (CHEBI:50860) Synonyms Sources iotrol DrugCentral Iotrolan KEGG COMPOUND iotrovist DrugCentral isovist DrugCentral Manual Xrefs Databases 1470 DrugCentral D01714 KEGG DRUG View more database links Registry Number Type Source 79770-24-4 CAS Registry Number KEGG COMPOUND Last Modified 22 February 2017