Brightway Flows 1.0
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Iopromide

fo-79526f713669ed1a

Identity

Type
Neutral molecule
CAS
73334-07-3
EC
277-385-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Iopromide

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DGAIEPBNLOQYER-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)
IUPAC name chemrof:IUPAC_name N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N-methylisophthalamide
Molecular formula chemrof:molecular_formula C18H24I3N3O8
Molecular mass chemrof:molecular_mass 791.115
Monoisotopic mass chemrof:monoisotopic_mass 790.869759, 790.86976
SMILES string chemrof:smiles_string COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I

Known URLs

38

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=73334-07-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63578 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.070.330 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0023163 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB09156 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1468 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1468 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1725 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G18173GU enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/712BAC33MZ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041910 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.916D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D01893 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D01893 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5134 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49618 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C1137 enrich_references.pubchem_identifier_url
patent patent:DE2909439 enrich_references.chebi_xrefs
patent patent:US4364921 enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1725 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3736 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/20412314 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20890877 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20921088 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21039317 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21141818 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21159465 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21529272 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21545991 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21623210 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21877755 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21943940 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22028567 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22178894 enrich_references.chebi_xrefs
reaxys reaxys:7085608 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/27781 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q4202805 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Iopromide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
cf8fbd1e-2f2c-4797-a799-cef197a19a56 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2f6adc12-6007-4880-8a1b-9b2572d2979a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
542936cb-9d9b-44d2-9ef1-ba654170e1e1 Environmental → Air → Indoor EF 3.1 kg 4
3ead2f81-7575-48de-b573-c98aa061031e Environmental → Air → Long-term EF 3.1 kg 0
00dcab45-dea8-4c66-8125-c4139242fc3b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f85cd861-8761-4925-931e-337987f2616e Environmental → Air → Unknown EF 3.1 kg 4
b4359fc3-0979-4a95-994c-973ff1f8410c Environmental → Ground → Agricultural EF 3.1 kg 4
ac2fcf6e-a317-4fbb-b824-2674291c3bca Environmental → Ground → Non-agricultural EF 3.1 kg 4
2d7fbdd0-250c-4b08-afef-204be589d9b4 Environmental → Ground → Unknown EF 3.1 kg 4
0005ab9c-ad0b-4776-9ea5-5e6374140008 Environmental → Water → Long-term EF 3.1 kg 0
646e5e8f-636d-4f2b-a1fc-5caa8efd88a8 Environmental → Water → Ocean EF 3.1 kg 4
46daad78-14da-41f5-a996-898df4b084de Environmental → Water → Surface water EF 3.1 kg 4
d626c3bb-c0b0-427d-a671-af3de83d1df4 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
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