Consensus flow list

Heptachlor Epoxide

fo-b6201c4c3b74dd0e

Identity

Type
Neutral molecule
CAS
1024-57-3
EC
213-831-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Heptachlor Epoxide

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZXFXBSWRVIQKOD-CFKMXOCQSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4-,5+,8+,9-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4O[C@H]4[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl
IUPAC name chemrof:IUPAC_name 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-
Molecular formula chemrof:molecular_formula C10H5Cl7O
Molecular mass chemrof:molecular_mass 389.32
Monoisotopic mass chemrof:monoisotopic_mass 385.816009, 385.81601
SMILES string chemrof:smiles_string ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl

Known URLs

8

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=1024-57-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34786 enrich_references.chebi_id_link
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1903207 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244297 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J524.168E enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14327 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13930 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27116272 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
172b0121-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
4d9a8790-3ddd-11dd-8d2e-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
5510b004-4d1b-4529-a8ab-2b0796c33880 Environmental → Air → Indoor EF 3.1 kg 6
4d9a8790-3ddd-11dd-8d2d-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8d2f-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
4d9a8790-3ddd-11dd-8d2c-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
4d9a8790-3ddd-11dd-8d2a-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a36c-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
4d9a8790-3ddd-11dd-8d2b-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
4d9a8790-3ddd-11dd-8d31-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a36d-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
4d9a8790-3ddd-11dd-8d30-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
4d9a8790-3ddd-11dd-8d32-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
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      "@value": "Epoxyheptachlor",
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      "@value": "GPKh epoxide",
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    },
    {
      "@value": "Heptachlor epoxide B",
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    {
      "@value": "Heptachlor exo-epoxide",
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    },
    {
      "@value": "MeSH ID: D006534",
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    },
    {
      "@value": "rel-(1aR,1bS,2R,5S,5aR,6S,6aR)-2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno[1,2-b]oxirene",
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    },
    {
      "@value": "Velsicol 53CS17",
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