Consensus flow list

Identity

Type
Neutral molecule
CAS
1014-69-3
EC
213-800-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Desmetryn

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HCRWJJJUKUVORR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)
IUPAC name chemrof:IUPAC_name 1,3,5-Triazine-2,4-diamine, N-methyl-N′-(1-methylethyl)-6-(methylthio)-
Molecular formula chemrof:molecular_formula C8H15N5S
Molecular mass chemrof:molecular_mass 213.31
Monoisotopic mass chemrof:monoisotopic_mass 213.104816, 213.10482
SMILES string chemrof:smiles_string CNc1nc(NC(C)C)nc(SC)n1

Known URLs

11

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=1014-69-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82222 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.546 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6041842 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/36FZV8OVJS enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.476E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19100 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19100 enrich_references.pubchem_identifier_url
ppdb ppdb:208 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13904 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q3024532 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
172b0120-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-af43-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
651c4f39-bdb6-48c6-8946-3ec1e38d0b01 Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-af42-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-af44-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-af41-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-af3f-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-af82-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
14e4c9319ae8f19bd588569a84f214e1016a206c Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-af40-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-af80-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-af83-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-af45-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-af81-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-baaef0f634f8456b",
  "prefLabel": [
    {
      "@value": "Desmetryn",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3,5-Triazine-2,4-diamine, N-methyl-N′-(1-methylethyl)-6-(methylthio)-",
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      }
    },
    {
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        ],
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      }
    },
    {
      "@value": "2-(Methylthio)-4-(methylamino)-6-(isopropylamino)-s-triazine",
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      }
    },
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    },
    {
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    },
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    },
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    },
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      "@value": "Norametryne",
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    },
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      "@value": "Semeron",
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    {
      "@value": "Semeron 25",
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    },
    {
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