Finasteride
fo-7e7c7bb0b6e57fb6
Identity
- Type
- Neutral molecule
- CAS
- 98319-26-7
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
26- (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide
- (5alpha,17beta)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide
- 1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-
- 4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5α,17β)-
- Appecia
- Chibro-Proscar
- Finalo
- Finara
- Finast
- Finasterid Alternova
- finasterida
- finasteridum
- Finastid
- Finax
- Fincar
- Finpecia
- Fistide
- Geffina
- MeSH ID: D018120
- N-(tert-Butyl)-3-oxo-4-aza-5α-androst-1-ene-17-carboxamide
- N-tert-butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide
- N-tert-Butyl-3-oxo-4-aza-5α-androst-1-ene-17β-carboxamide
- Propecia
- Proscar
- Prosteride
- Prostide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DBEPLOCGEIEOCV-WSBQPABSSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |
| IUPAC name chemrof:IUPAC_name | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide |
| Molecular formula chemrof:molecular_formula | C23H36N2O2 |
| Molecular mass chemrof:molecular_mass | 372.553 |
| Monoisotopic mass chemrof:monoisotopic_mass | 372.277678, 372.27768 |
| SMILES string chemrof:smiles_string | CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C |
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 |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=98319-26-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5062 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.149.445 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3020625 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB01216 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB01216 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1171 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1171 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=741485 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757443 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL710 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/57GNO57U7G | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0001984 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J367.472J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D00321 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/D00321 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-1999 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43429 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C1099 | enrich_references.pubchem_identifier_url |
| patent | patent:EP155096 | enrich_references.chebi_xrefs |
| patent | patent:US4760071 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA449627 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/NMC5ZNMQ7URT | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL710 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/57363 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15956333 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23552442 | enrich_references.chebi_xrefs |
| reaxys | reaxys:4269024 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/25025 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q424167 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Finasteride | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 074bd5c2-f326-4a19-9394-a92ac394dacb | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| ef1fe4c0-39ad-409e-b6f8-7d14380886f9 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| ebce6688-98ae-4c75-920b-0ddb31ce3e85 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| aec09694-f687-4fec-a666-44bbf18c8e2b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 34b9e7de-753e-40f5-8241-b44df2933219 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 9595da54-89c2-454b-92a2-251dfd048da7 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| b606a487-eca9-4cdb-b4f2-4d45b390a778 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 3ac98d7b-127c-4aff-833a-342e6e84cf20 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| d349ef84-29f7-40cc-b77e-3861c55a54b5 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c5eb3e5d-9bb8-4780-895d-03626e1b7731 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e049f40f-8466-4b40-9173-ba8ef7cc6cac | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 3f06f7d2-0aab-4a54-9d22-6a22c6976da1 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| bae72cc2-a18f-4902-bc10-52b84c3b9ceb | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-7e7c7bb0b6e57fb6",
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{
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{
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{
"@value": "Finalo",
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},
{
"@value": "Finara",
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},
{
"@value": "Finast",
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},
{
"@value": "Finasterid Alternova",
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},
{
"@value": "finasterida",
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},
{
"@value": "finasteridum",
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},
{
"@value": "Finastid",
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},
{
"@value": "Finax",
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},
{
"@value": "Fincar",
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{
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}
},
{
"@value": "Fistide",
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},
{
"@value": "Geffina",
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},
{
"@value": "MeSH ID: D018120",
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},
{
"@value": "N-(tert-Butyl)-3-oxo-4-aza-5α-androst-1-ene-17-carboxamide",
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{
"@value": "N-tert-butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide",
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{
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},
{
"@value": "Propecia",
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},
{
"@value": "Proscar",
"@language": "en",
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},
{
"@value": "Prosteride",
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}
},
{
"@value": "Prostide",
"@language": "en",
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}
],
"properties": {
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"@value": [
"C23H36N2O2"
],
"attested_by": {
"C23H36N2O2": [
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},
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