Dinitolmide
fo-b13f7ec922ecb153
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
Alternative labels
13- 2-methyl-3,5-dinitrobenzamide
- 3,5-Dinitro-2-methylbenzamide
- 3,5-Dinitro-o-toluamide
- Benzamide, 2-methyl-3,5-dinitro-
- Coccidin
- Coccidine A
- Coccidot
- Dinitrotoluamide
- MeSH ID: D004135
- o-Toluamide, 3,5-dinitro-
- Salcostat
- Zoalene
- Zoamix
Properties
| Property | Value |
|---|---|
| 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
24Where 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 | 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)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works