Triamcinolone Acetonide
fo-eb1f1f6a05ab8a35
Identity
- Type
- Neutral molecule
- CAS
- 76-25-5
- EC
- 200-948-7
- 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
69- (11beta,16alpha)-9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
- (11β,16α)-9-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
- (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
- 9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione-16,17-acetonide
- 9-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione-16,17-acetonide
- 9-Fluoro-11β,21-dihydroxy-16α,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
- 9-Fluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
- 9alpha-fluoro-11beta,21-dihydroxy-16alpha,17-isopropylidenedioxy-1,4-pregnadiene,3,20-dione
- 9alpha-fluoro-11beta,21-dihydroxy-16alpha,17alpha-isopropylidenedioxypregna-1,4-diene-3,20-dione
- 9alpha-fluoro-16alpha-17alpha-isopropyledenedioxyprednisolone
- 9alpha-fluoro-16alpha-17alpha-isopropylidenedioxy-Delta-1-hydrocortisone
- 9alpha-fluoro-16alpha-hydroxyprednisolone 16alpha,17alpha-acetonide
- 9α-Fluoro-11β,21-dihydroxy-16α,17α-isopropylidenedioxy-1,4-pregnadiene-3,20-dione
- 9α-Fluoro-16α-hydroxyprednisolone 16α,17α-acetonide
- Adcortyl
- Adcortyl A
- Aftach
- Aristicort
- Aristocort A
- Aristocort acetonide
- Aristoderm
- Azmacort
- Berlicort
- Delphicort
- Extracort
- Ftorocort
- I-Vation
- Kenacort 40
- Kenacort 80
- Kenacort A
- Kenacort A 40
- Kenalog
- Kenalog 10
- Kenalog 40
- Ledercort Cream
- Lichtena
- MaQuaid
- MeSH ID: D014222
- Nasacort
- Omcilon A
- Pol'kortolon
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
- Queyanshusong A
- Respicort
- Rheudenolone
- Rineton
- Solodelf
- Tamceton
- Tramacin
- Tri-Nasal
- Triacet
- Triakort
- Triam
- Triamcinolone 16,17-acetonide
- Triamcinolone 16α,17α-acetonide
- Triamcort-Depot
- Triamhexal
- Triamonide 40
- Trianopollon
- Tricinolon
- Triesence
- Trivaris
- Trymex
- Valon A 10
- Vetalog
- Vetazine
- Volon A
- Volonimat
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | YNDXUCZADRHECN-JNQJZLCISA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 |
| IUPAC name chemrof:IUPAC_name | (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one |
| Molecular formula chemrof:molecular_formula | C24H31FO6 |
| Molecular mass chemrof:molecular_mass | 434.504 |
| Monoisotopic mass chemrof:monoisotopic_mass | 434.210467, 434.21047 |
| SMILES string chemrof:smiles_string | CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1 |
Known URLs
27Where 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=76-25-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71418 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.863 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6021371 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00620 | enrich_references.chebi_xrefs |
| drugcentral | drugcentral:2726 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/2726 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=21916 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1504 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F446C597KA | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.714E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C08183 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00983 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C08183 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00983 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52702 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C48027 | enrich_references.pubchem_identifier_url |
| patent | patent:US2008118586 | enrich_references.chebi_xrefs |
| patent | patent:US2008139545 | enrich_references.chebi_xrefs |
| pharos.nih.gov | https://pharos.nih.gov/ligands/TD1BLYJC1HKM | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1504 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6436 | enrich_references.pubchem_compound |
| reaxys | reaxys:60069 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/10761 | enrich_references.pubchem_identifier_url |
| vsdb | vsdb:3009 | enrich_references.chebi_xrefs |
| wikidata.org | https://www.wikidata.org/wiki/Q2211240 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Triamcinolone_acetonide | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e2fadda9-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9582-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 14ffa922-56d8-4800-ac0f-60b93c103e08 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9581-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9583-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9580-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-957e-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-aef1-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-957f-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9585-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-aef2-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9584-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9586-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
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{
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{
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{
"@value": "Aftach",
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{
"@value": "Aristicort",
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{
"@value": "Aristocort A",
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{
"@value": "Aristocort acetonide",
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},
{
"@value": "Aristoderm",
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},
{
"@value": "Azmacort",
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},
{
"@value": "Berlicort",
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},
{
"@value": "Delphicort",
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},
{
"@value": "Extracort",
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},
{
"@value": "Ftorocort",
"@language": "en",
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