Consensus flow list

N',n'''-methylenebis{1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea}

fo-984847bab3c27697

Identity

Type
Neutral molecule
CAS
39236-46-9
EC
254-372-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for N',n'''-methylenebis{1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea}

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZCTXEAQXZGPWFG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)
IUPAC name chemrof:IUPAC_name N',N'''-methanediylbis{1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea}
Molecular formula chemrof:molecular_formula C11H16N8O8
Molecular mass chemrof:molecular_mass 388.297
Monoisotopic mass chemrof:monoisotopic_mass 388.109109, 388.10911
SMILES string chemrof:smiles_string O=C(NCNC(=O)NC1C(=O)NC(=O)N1CO)NC1C(=O)NC(=O)N1CO

Known URLs

20

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
beilstein beilstein:8731946 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=39236-46-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51805 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.411 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2040151 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB14075 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL65433 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M629807ATL enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J236.023C enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D04513 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5114 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=57894 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65895 enrich_references.pubchem_identifier_url
patent patent:US3248285 enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL65433 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/38258 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=123104 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1368885 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2737856 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Imidazolidinyl_urea enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d3dcf0c3-eef2-451d-a35c-a87da6d9aec2 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0790c829-aca3-4eb1-a0e1-2a7b28c4925b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
eaa28bfd-ad5a-421e-aa91-9ffc9cd0c0de Environmental → Air → Indoor EF 3.1 kg 4
e26a7113-36b2-42ba-bdbe-653e3ba660f1 Environmental → Air → Long-term EF 3.1 kg 0
e0e6587c-9dd3-449f-9bb4-51f3cd6ed556 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
900c5cd7-1f2d-4dd3-9ff7-66834280437d Environmental → Air → Unknown EF 3.1 kg 4
1de954dc-83a7-4f3b-91cb-4bdc2bf73fa1 Environmental → Ground → Agricultural EF 3.1 kg 4
bb0c656e-e233-4c54-a44f-a6ea97307bbc Environmental → Ground → Non-agricultural EF 3.1 kg 4
aff6298b-7b39-4072-b1e4-f2966b034570 Environmental → Ground → Unknown EF 3.1 kg 4
af2eeb31-57b1-4e66-bf91-fb145c83a450 Environmental → Water → Long-term EF 3.1 kg 0
5865ce6a-1a79-498c-95cb-4c44e4029a09 Environmental → Water → Ocean EF 3.1 kg 4
d86bcd1c-ffd2-489a-9b58-b1ef628bd923 Environmental → Water → Surface water EF 3.1 kg 4
3cf0849a-65fd-4316-833b-a8cdcc968b6d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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