Estazolam
fo-c9f4805ad54dde17
Identity
- Type
- Neutral molecule
- CAS
- 29975-16-4
- EC
- 249-982-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
18- 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-phenyl-
- 4H-s-Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-phenyl-
- 8-Chloro-6-phenyl-4H-[1,2,4]-triazolo[4,3-(a)][1,4]benzodiazepine
- 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
- 8-chloro-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine
- 8-Chloro-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine
- 8-Chloro-6-phenyl-4H-s-triazolo[4,3-α][1,4]benzodiazepine
- Cannoc
- D 40TA
- Esilgan
- estazolamum
- Eurodin
- Julodin
- MeSH ID: D004949
- Nemurel
- Nuctalon
- ProSom
- Somnatrol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CDCHDCWJMGXXRH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2 |
| IUPAC name chemrof:IUPAC_name | 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine |
| Molecular formula chemrof:molecular_formula | C16H11ClN4 |
| Molecular mass chemrof:molecular_mass | 294.745 |
| Monoisotopic mass chemrof:monoisotopic_mass | 294.06722, 294.067224 |
| SMILES string chemrof:smiles_string | Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2 |
Known URLs
31Where 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 |
|---|---|---|
| beilstein | beilstein:1220868 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=29975-16-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4858 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.045.424 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5020572 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB01215 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB01215 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1056 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1056 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=290818 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL285674 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/36S3EQV54C | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015346 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.280K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D00311 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06981 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00311 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43428 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47520 | enrich_references.pubchem_identifier_url |
| patent | patent:DE1955349 | enrich_references.chebi_xrefs |
| patent | patent:DE2012190 | enrich_references.chebi_xrefs |
| patent | patent:DE2114441 | enrich_references.chebi_xrefs |
| patent | patent:US3701782 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA449502 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/CNU5MATKV29X | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL285674 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3261 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7154007 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/4077 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q3045264 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Estazolam | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1a3b1373-ef72-4ded-bec7-3ff108c0cf02 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| b01c0b4d-506b-471a-bfef-845ed47f9b74 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 981ae207-e07e-4e60-91b1-de846a5f512c | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| b88fe347-c23b-4968-96f0-9ff84b271012 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 359d9b7e-7f4c-4656-9875-a97e25f4e90f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| fae72115-65fd-4194-a8bb-0f0a0c971c85 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| e9e61fa9-df44-4c20-a589-d5643876e0d4 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| fee20702-7cdf-4437-9d39-50f4f83bfbc6 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| f86809c4-2496-4c33-a5cf-4111caaca03e | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| d56a3fb5-ee1c-435e-b0a5-b57a8ee8990b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 6e7f61b5-1c46-462e-a509-fde4fe99b6f9 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 73483e98-cc75-4616-8123-1f3dfed65956 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 1c64210d-d500-4560-bb5c-5e44d85e4e65 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works