Norethynodrel
fo-7b7977814d10f348
Identity
- Type
- Neutral molecule
- CAS
- 68-23-5
- EC
- 200-682-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
16- (17α)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one
- 13-Methyl-17-ethynyl-17-hydroxy-1,2,3,4,6,7,8,9,11,12,13,14,16,17-tetradecahydro-15H-cyclopenta[a]phenanthren-3-one
- 17-Hydroxy-19-nor-17α-pregn-5(10)-en-20-yn-3-one
- 17α-Ethinyl-17β-hydroxy-Δ5(10)-estren-3-one
- 17α-Ethynyl-17-hydroxy-5(10)-estren-3-one
- 17α-Ethynyl-17β-hydroxy-5(10)-estrene-3-one
- 17α-Ethynyl-17β-hydroxy-Δ5(10)-estren-3-one
- 17α-Ethynylestr-5(10)-ene-17β-ol-3-one
- 17α-Ethynylestra-5(10)-ene-17β-ol-3-one
- 17β-Hydroxy-19-nor-17α-pregn-5(10)-en-20-yn-3-one
- 19-Nor-17α-pregn-5(10)-en-20-yn-3-one, 17-hydroxy-
- 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-, (17α)-
- 3-Oxo-17β-hydroxy-17α-ethynyl-5(10)-estrene
- MeSH ID: D009641
- norethinodrel
- Noretynodrel
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ICTXHFFSOAJUMG-SLHNCBLASA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3 |
| IUPAC name chemrof:IUPAC_name | 13-Methyl-17-ethynyl-17-hydroxy-1,2,3,4,6,7,8,9,11,12,13,14,16,17-tetradecahydro-15H-cyclopenta[a]phenanthren-3-one |
| Molecular formula chemrof:molecular_formula | C20H26O2 |
| Molecular mass chemrof:molecular_mass | 298.426 |
| Monoisotopic mass chemrof:monoisotopic_mass | 298.19328 |
| SMILES string chemrof:smiles_string | C#CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C |
Known URLs
23Where 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=68-23-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34895 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.620 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3021069 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB09371 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1965 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1965 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1387 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/88181ACA0M | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.857G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14249 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D05207 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14249 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D05207 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-3807 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67517 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C66244 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/Q5GJ1PUKG89L | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1387 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6231 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=030508 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q5659069 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Noretynodrel | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 393aa905-4881-4dc2-89ce-97fe6ec19e3b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 23ef1411-ebd1-435c-a749-d33784de08bb | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| f4c6ff99-a8be-4d4f-90a1-b062fe850e62 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| d058b5d8-e0d7-4e30-aeef-e90023d01149 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e6bd2d30-b90b-4b48-8f41-e90e46012a59 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 9fa3d9c0-d755-4ac7-8edc-bdee192bb83b | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 2a9004e9-c441-4d0c-97c7-aafdca9ce483 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| c4ce6cf5-7735-4af0-8e89-3ccc128f0d17 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| a85fc4a3-60d3-42b0-8999-e9bc016b9b4a | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 55250458-2f4a-45d1-9e14-ed7289d086e1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e3ef23e1-ef7a-4d16-a7ca-04f8d8898540 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| e62108e5-8c9b-43fd-a7c1-53237ee873f1 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 93a847e6-51e6-478d-96ce-6f67a6cbea08 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (57 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