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CHEBI:31715 - Iotrolan

Default Structure
ChEBI IDCHEBI:31715
ChEBI NameIotrolan
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC37H48I6N6O18
Net Charge0
Average Mass1626.239
Monoisotopic Mass1625.72935
SMILESCN(C(=O)CC(=O)N(C)c1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I)c1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I
InChIInChI=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)
InChIKeyXUHXFSYUBXNTHU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Iotrolan (CHEBI:31715) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
iotrolDrugCentral
IotrolanKEGG COMPOUND
iotrovistDrugCentral
isovistDrugCentral
Manual XrefsDatabases
1470DrugCentral
D01714KEGG DRUG
Registry NumbersSources
CAS:79770-24-4KEGG COMPOUND