Trenbolone
fo-48f299376ee8a582
Identity
- Type
- NeutralMolecule
- CAS
- 10161-33-8
- EC
- 600-229-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 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
18- (+)-trenbolone
- (17beta)-17-hydroxyestra-4,9,11-trien-3-one
- (17β)-17-Hydroxyestra-4,9,11-trien-3-one
- (1s,3as,3bs,11as)-1-hydroxy-11a-methyl-1h,2h,3h,3ah,3bh,4h,5h,7h,8h,9h,11ah-cyclopenta[a]phenanthren-7-one
- 17-beta-hydroxyestra-4,9,11-trien-3-one
- 17beta-hydroxyestra-4,9,11-trien-3-one
- 17beta-trenbolone
- 17β-Hydroxyestra-4,9,11-trien-3-one
- 17β-Trenbolone
- 9,10,11,12-dehydro-19-nortestosterone
- estra-4,9,11-trien-17beta-ol-3-one
- Estra-4,9,11-trien-3-one, 17-hydroxy-, (17β)-
- Estra-4,9,11-trien-3-one, 17β-hydroxy-
- trenbolona
- trenbolonum
- trienbolone
- trienolone
- β-Trenbolone
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MEHHPFQKXOUFFV-OWSLCNJRSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17+,18+/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O |
| IUPAC name chemrof:IUPAC_name | (17beta)-17-hydroxyestra-4,9,11-trien-3-one |
| Molecular formula chemrof:molecular_formula | C18H22O2 |
| Molecular mass chemrof:molecular_mass | 270.372 |
| Monoisotopic mass chemrof:monoisotopic_mass | 270.16198 |
| SMILES string chemrof:smiles_string | CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O |
Known URLs
42Where 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=10161-33-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35018 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.127.177 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.23383.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0034192 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB11551 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB11551 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182355 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P53R4420TR | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.986I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14261 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D08627 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14261 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D08627 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143664 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C95072 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL3182355 | enrich_references.pubchem_identifier_url |
| pmc | pmc:PMC7208198 | enrich_references.chebi_xrefs |
| pmc | pmc:PMC7702559 | enrich_references.chebi_xrefs |
| pmc | pmc:PMC7702632 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/25015 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31490490 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31706722 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31869672 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32302915 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33813613 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34087738 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34157788 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34243057 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34410404 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34450427 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34627821 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34637294 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34662611 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34940609 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34959884 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/35065139 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/35339048 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/35502944 | enrich_references.chebi_xrefs |
| reaxys | reaxys:5756203 | enrich_references.chebi_xrefs |
| wikidata.org | https://www.wikidata.org/wiki/Q904833 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Trenbolone | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 38bd09fd-2885-4d9c-973d-3f3e61840b53 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 5000040b-82b6-4712-8de1-579f588a6789 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 4992e251-4de6-441b-bf01-1c120ef13ccf | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 43509957-269a-4574-9009-87e3aaa06ec5 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| cf0099ef-01b2-497e-b584-651d8bc0fdbf | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| e4c66b1a-2d6e-47c2-b2b9-79572409bd55 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 6db4cf1e-bd9f-4f46-a978-f3dac6ee2d64 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| ecfdc596-1850-4a41-bc9e-103167a7176e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 1fe18a32-ceff-4dce-b4e0-6ef792abe0fe | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 3b834bc5-9dba-4e61-96c4-d098415d9a32 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5c424759-dc79-43f8-9fef-00204f10b761 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 932a338b-f181-467b-819e-283d08e20201 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| f6cee01b-8922-47ba-bee0-f387324fa0c7 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-48f299376ee8a582",
"prefLabel": [
{
"@value": "Trenbolone",
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{
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{
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{
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{
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{
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{
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{
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},
{
"@value": "trenbolonum",
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},
{
"@value": "trienbolone",
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{
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{
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"properties": {
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"attested_by": {
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