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CHEBI:31709 - iohexol

Default Structure
ChEBI IDCHEBI:31709
ChEBI Nameiohexol
Stars
DefinitionA 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.
Last Modified22 February 2017
DownloadsMolfile
FormulaC19H26I3N3O9
Net Charge0
Average Mass821.141
Monoisotopic Mass820.88032
SMILESCC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
InChIInChI=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)
InChIKeyNTHXOOBQLCIOLC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
Applications:
radioopaque medium  A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
ChEBI Ontology
Outgoing Relation(s)
iohexol (CHEBI:31709) has role anti-HIV agent (CHEBI:64946)
iohexol (CHEBI:31709) has role antineoplastic agent (CHEBI:35610)
iohexol (CHEBI:31709) has role cardiovascular drug (CHEBI:35554)
iohexol (CHEBI:31709) has role environmental contaminant (CHEBI:78298)
iohexol (CHEBI:31709) has role radioopaque medium (CHEBI:37338)
iohexol (CHEBI:31709) has role renoprotective agent (CHEBI:231911)
iohexol (CHEBI:31709) has role xenobiotic (CHEBI:35703)
iohexol (CHEBI:31709) is a benzenedicarboxamide (CHEBI:38800)
iohexol (CHEBI:31709) is a organoiodine compound (CHEBI:37142)
IUPAC Name 
5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
INNs  Source
iohexolKEGG DRUG
iohexolumChemIDplus
Synonyms  Source
N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamideChemIDplus
NSC-759636ChEMBL
WIN 39424ChEMBL
WIN-39424ChEMBL
Brand Names  Source
ExypaqueChEMBL
OmnipaqueChEMBL
Omnipaque 12ChEMBL
Omnipaque 140ChEMBL
Omnipaque 180ChEMBL
Omnipaque 210ChEMBL
Manual XrefsDatabases
1461DrugCentral
D01817KEGG DRUG
IohexolWikipedia
LSM-5095LINCS
Registry NumbersSources
Reaxys:2406632Reaxys
CAS:66108-95-0ChemIDplus
CAS:66108-95-0KEGG DRUG
Citations