Brightway Flows 1.0
GitHub

Diazoxon

fo-607176d48d72bcc4

Identity

Type
Neutral molecule
CAS
962-58-3
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
61 across every transformer

Structure

Structure diagram for Diazoxon

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VBLJFQYCTRKKKF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H21N2O4P/c1-6-16-19(15,17-7-2)18-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
IUPAC name chemrof:IUPAC_name diethyl 6-methyl-2-(propan-2-yl)pyrimidin-4-yl phosphate
Molecular formula chemrof:molecular_formula C12H21N2O4P
Molecular mass chemrof:molecular_mass 288.284
Monoisotopic mass chemrof:monoisotopic_mass 288.12389, 288.123894
SMILES string chemrof:smiles_string CCOP(=O)(OCC)Oc1cc(C)nc(C(C)C)n1

Known URLs

15

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=962-58-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83533 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.217.239 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5037523 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1901616 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9FX08D2L1U enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251156 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.196J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13754 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24342266 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24418454 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24561003 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24573775 enrich_references.chebi_xrefs
reaxys reaxys:273789 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27156923 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
70a1cf2c-9640-484e-b8ba-66ba845e57ff Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a6adebb7-f603-4971-ae66-45b90220e311 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
96b64917-eeea-4eb5-86eb-3709105fd5d7 Environmental → Air → Indoor EF 3.1 kg 2
78d8ebab-e7c7-4753-9d0a-6a542171a348 Environmental → Air → Long-term EF 3.1 kg 0
41ddf183-73c7-4f50-8fa4-10454c4e6e1d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b887566c-b081-452d-9df6-f9f9c68956e1 Environmental → Air → Unknown EF 3.1 kg 2
c9e47e4d-7f20-4d7b-8a5c-a5743d99a975 Environmental → Ground → Agricultural EF 3.1 kg 2
e2e343e4-90b4-4611-8d01-c3a37855316b Environmental → Ground → Non-agricultural EF 3.1 kg 2
1970e68a-ec1d-4f97-80a6-d51868d894f4 Environmental → Ground → Unknown EF 3.1 kg 2
a8b8d5e6-8c56-4deb-9510-77c6b8e6a627 Environmental → Water → Long-term EF 3.1 kg 0
db4ad4be-c26d-4e26-a920-f3388801e945 Environmental → Water → Ocean EF 3.1 kg 2
f040fa01-4d38-4b31-9ad4-a32368d3d297 Environmental → Water → Surface water EF 3.1 kg 2
1d29a578-f5f1-4fc2-abda-f838d31bd030 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (61 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-607176d48d72bcc4",
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  "altLabel": [
    {
      "@value": "4-Pyrimidinol, 2-isopropyl-6-methyl-, diethyl phosphate",
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    },
    {
      "@value": "Diazinon oxon",
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