Consensus flow list

Identity

Type
Neutral molecule
CAS
2955-38-6
EC
220-975-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Prazepam

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MWQCHHACWWAQLJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2
IUPAC name chemrof:IUPAC_name 1-(Cyclopropylmethyl)-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Molecular formula chemrof:molecular_formula C19H17ClN2O
Molecular mass chemrof:molecular_mass 324.811
Monoisotopic mass chemrof:monoisotopic_mass 324.10294, 324.102941
SMILES string chemrof:smiles_string O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1

Known URLs

24

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=2955-38-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8362 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.069 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021181 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB01588 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2240 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2240 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=277179 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL969 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q30VCC064M enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015527 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.397I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07366 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00470 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07366 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00470 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43579 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C66458 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA164776668 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/7WK1AMSTSPVN enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL969 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4890 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2149443 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Prazepam enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
15f7f6fa-5160-457f-8b03-a6e52bea8de9 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
86eefcd9-442f-45d5-b9e8-ced0169cddc2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
7a91de3f-6ed6-430f-a027-c56a819f6ad8 Environmental → Air → Indoor EF 3.1 kg 0
7f75d087-0c94-4b20-a8cb-3f7cf162e455 Environmental → Air → Long-term EF 3.1 kg 0
9bb050e3-b99e-470c-b42b-8a5c99a3561f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
f6d986e8-951d-42f9-ae3b-4d9f8d2440e9 Environmental → Air → Unknown EF 3.1 kg 0
19e37b52-ad83-4f4e-8966-b2ee7a2f2ab7 Environmental → Ground → Agricultural EF 3.1 kg 0
c7fa08d7-3dd6-4293-80e1-48647e57efd1 Environmental → Ground → Non-agricultural EF 3.1 kg 0
a0bb771c-d048-4992-bdf3-537b9f647d52 Environmental → Ground → Unknown EF 3.1 kg 0
31075524-c7b9-4ca0-8a3b-bc4517766048 Environmental → Water → Long-term EF 3.1 kg 0
f136cf83-b460-46b8-a5d4-11ab418f31f6 Environmental → Water → Ocean EF 3.1 kg 0
a1cadc2b-950d-4921-b545-21dd6f6ab78c Environmental → Water → Surface water EF 3.1 kg 0
497f6c6f-b72d-49f4-aa65-2774207ffcd4 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-2a4ab9a3575c9340",
  "prefLabel": [
    {
      "@value": "Prazepam",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
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    },
    {
      "@value": "1-Cyclopropylmethyl-5-phenyl-7-chloro-1H-1,4-benzodiazepin-2(3H)-one",
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    },
    {
      "@value": "2H-1,4-Benzodiazepin-2-one, 7-chloro-1-(cyclopropylmethyl)-1,3-dihydro-5-phenyl-",
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    },
    {
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    },
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      "@value": "7-Chloro-1-(cyclopropylmethyl)-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one",
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    },
    {
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    },
    {
      "@value": "Lysanxia",
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    },
    {
      "@value": "MeSH ID: D011222",
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    },
    {
      "@value": "prazene",
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    },
    {
      "@value": "sedapran",
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    },
    {
      "@value": "Settima",
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    },
    {
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    },
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