Consensus flow list

Identity

Type
Neutral molecule
CAS
55268-74-1
EC
259-559-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Praziquantel

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FSVJFNAIGNNGKK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2
IUPAC name chemrof:IUPAC_name 2-(Cyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one
Molecular formula chemrof:molecular_formula C19H24N2O2
Molecular mass chemrof:molecular_mass 312.413
Monoisotopic mass chemrof:monoisotopic_mass 312.183778, 312.18378
SMILES string chemrof:smiles_string O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1

Known URLs

26

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=55268-74-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:91583 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.054.126 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021182 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB01058 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2241 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2241 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757285 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL976 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6490C9U457 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015191 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.787A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J457.026J enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C07367 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00471 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-1387 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43296 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47683 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA164764583 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL976 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4891 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=007943 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/8628 enrich_references.pubchem_identifier_url
vsdb vsdb:1782 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q424145 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Praziquantel enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
20cd768c-1bf3-4bdd-b05d-ca6f51ba8c3f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
cfc8e503-2bf2-43a6-ba21-38045ad606fb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d1b1b622-8cea-4c37-a443-d7ef0936235c Environmental → Air → Indoor EF 3.1 kg 2
32cb38ca-a9d9-4718-8fb3-73c4b8f788a6 Environmental → Air → Long-term EF 3.1 kg 0
7305f1f6-9f56-48b9-8d24-40de4f0837d7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
cf7ff034-dc2f-4214-9559-c0252bb18783 Environmental → Air → Unknown EF 3.1 kg 2
3579d5c4-cee6-4747-aa3a-e290ea5c9469 Environmental → Ground → Agricultural EF 3.1 kg 2
66ce6025-c779-4ebe-934a-0312873b7e20 Environmental → Ground → Non-agricultural EF 3.1 kg 2
1d841092-b4e3-42b8-ace5-36553d4ae69e Environmental → Ground → Unknown EF 3.1 kg 2
70af269f-2af9-46a1-9f08-a716e5d7ca9a Environmental → Water → Long-term EF 3.1 kg 0
c0139806-8de6-4c9e-a10d-291d5403a777 Environmental → Water → Ocean EF 3.1 kg 2
616fdb68-18aa-4742-8d79-d7b889906f02 Environmental → Water → Surface water EF 3.1 kg 2
36c1d551-eaec-4650-8ff0-73508e6147ac Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f25450c2b1440dd4",
  "prefLabel": [
    {
      "@value": "Praziquantel",
      "@language": "en",
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      }
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  ],
  "altLabel": [
    {
      "@value": "(+/-)-Praziquantel",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(11bR)-2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(±)-Praziquantel",
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    },
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      "@value": "(±)-Praziquatel",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(Cyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(Cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one",
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      }
    },
    {
      "@value": "2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one",
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      }
    },
    {
      "@value": "2-Cyclohexanecarbonyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one",
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    },
    {
      "@value": "4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "azinox",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Biltricide",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cesol",
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      "provenance": {
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      }
    },
    {
      "@value": "cysticide",
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    {
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    },
    {
      "@value": "Droncit",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Epiquantel",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hada Clean",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "MeSH ID: D011223",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "prazinon",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "pyquiton",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_91583"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "saniquantrel",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Warmnil",
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      "provenance": {
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  ],
  "properties": {
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        "C19H24N2O2"
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