Consensus flow list

2-{9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-ylmethyl}-2,3-dihydro-1h-isoindole-1,3-dione

fo-7e4bfdf883dbafe8

Identity

Type
Neutral molecule
CAS
74860-00-7
EC
616-149-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-{9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-ylmethyl}-2,3-dihydro-1h-isoindole-1,3-dione

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QAVFEJRLIYLUBJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C23H16N2O2/c26-22-18-10-4-5-11-19(18)23(27)25(22)14-21-17-9-3-1-7-15(17)13-16-8-2-6-12-20(16)24-21/h1-12H,13-14H2
IUPAC name chemrof:IUPAC_name 2-{9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-ylmethyl}-2,3-dihydro-1h-isoindole-1,3-dione
Molecular formula chemrof:molecular_formula C23H16N2O2
Molecular mass chemrof:molecular_mass 352.393
Monoisotopic mass chemrof:monoisotopic_mass 352.121178
SMILES string chemrof:smiles_string O=C1c2ccccc2C(=O)N1CC1=Nc2ccccc2Cc2ccccc21

Known URLs

6

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=74860-00-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.122.175 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90456774 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.085.174K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11142718 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82279341 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
042ab802-4c85-4892-839e-9c98763939e5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5f34d272-052f-4e08-8f83-56a2e5c4b018 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
43b85c29-25b6-498d-b89c-73bd51231e7e Environmental → Air → Indoor EF 3.1 kg 2
181df719-acfc-4061-879c-3103678da5fd Environmental → Air → Long-term EF 3.1 kg 0
f2506dbf-7f5e-430d-8d97-35f3c3a24561 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8c768858-bae2-487f-b9db-c2bdc0901d01 Environmental → Air → Unknown EF 3.1 kg 2
ddebb888-99ce-4f9c-8f40-9909399908fd Environmental → Ground → Agricultural EF 3.1 kg 2
bbb270f6-daba-4707-a0b4-a671e0fa024e Environmental → Ground → Non-agricultural EF 3.1 kg 2
fbcc7dbf-8e7c-45b9-9e31-0eb26924d6a5 Environmental → Ground → Unknown EF 3.1 kg 2
400e15ad-02d8-4f45-bc40-464048d41cd2 Environmental → Water → Long-term EF 3.1 kg 0
fa3b4d2b-8951-4286-a348-13565b012679 Environmental → Water → Ocean EF 3.1 kg 2
cbbac45a-cc24-4e0f-97f1-cd358f962459 Environmental → Water → Surface water EF 3.1 kg 2
d7733a92-fa25-43fb-afcc-7dad4c868c7e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7e4bfdf883dbafe8",
  "prefLabel": [
    {
      "@value": "2-{9-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-ylmethyl}-2,3-dihydro-1h-isoindole-1,3-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "11H-Dibenz[b,e]azepine, 1H-isoindole-1,3(2H)-dione deriv.",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "1H-Isoindole-1,3(2H)-dione, 2-(11H-dibenz[b,e]azepin-6-ylmethyl)-",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "2-(11H-Dibenz[b,e]azepin-6-ylmethyl)-1H-isoindole-1,3(2H)-dione",
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}

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