Consensus flow list

Identity

Type
Neutral molecule
CAS
148-01-6
EC
205-706-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dinitolmide

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZEFNOZRLAWVAQF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
IUPAC name chemrof:IUPAC_name 2-methyl-3,5-dinitro-benzamide, 2-methyl-3,5-dinitrobenzamide
Molecular formula chemrof:molecular_formula C8H7N3O5
Molecular mass chemrof:molecular_mass 225.16
Monoisotopic mass chemrof:monoisotopic_mass 225.03857
SMILES string chemrof:smiles_string Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]

Known URLs

24

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=148-01-6 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/XS401640.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:174162 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.189 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1552 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.2982.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6042521 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB11480 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB11480 enrich_references.pubchem_identifier_url
drugcentral.org https://drugcentral.org/drugcard/5646 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758213 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL472565 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AOX68RY4TV enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032558 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2924.29.03.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.959I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D07857 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D07857 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45603 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C79128 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL472565 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3092 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q4024614 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dinitolmide enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0c7c80ed-4141-4707-9cfc-12bbba329aa9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4c42ff8c-1dd9-4859-8c0f-b139a0eea247 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
353e42fb-8efe-4c97-87db-9bf4cf57dd23 Environmental → Air → Indoor EF 3.1 kg 2
6c5b9fee-f43c-4fc1-9f22-e449ec2865d8 Environmental → Air → Long-term EF 3.1 kg 0
daca741f-8181-4820-a528-1d53b85b724a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
75fffc03-eb43-4000-a8e1-6f03f4715465 Environmental → Air → Unknown EF 3.1 kg 2
d06ea79e-7756-465b-b5e5-ea2696368b0e Environmental → Ground → Agricultural EF 3.1 kg 2
6e2bba46-71d1-44ef-b65b-60ddac30269a Environmental → Ground → Non-agricultural EF 3.1 kg 2
d686aed1-c798-47ee-bfe6-bdc1b8d1ab13 Environmental → Ground → Unknown EF 3.1 kg 2
aceff28c-492b-4747-a322-668bfed390d1 Environmental → Water → Long-term EF 3.1 kg 0
ca724495-9e16-4c17-aa20-dba98ffa5566 Environmental → Water → Ocean EF 3.1 kg 2
40390b1e-02a1-40c5-bc62-82dd8fe4b4de Environmental → Water → Surface water EF 3.1 kg 2
a92a03ae-a825-495d-b784-c1e5abcc2bcc Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b13f7ec922ecb153",
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