Consensus flow list

Identity

Type
Neutral molecule
CAS
152-97-6
EC
205-811-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 6-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GAKMQHDJQHZUTJ-ULHLPKEOSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
IUPAC name chemrof:IUPAC_name (6α,11β,16α)-6-Fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
Molecular formula chemrof:molecular_formula C22H29FO4
Molecular mass chemrof:molecular_mass 376.468
Monoisotopic mass chemrof:monoisotopic_mass 376.204988, 376.20499
SMILES string chemrof:smiles_string CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO

Known URLs

17

Where 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=152-97-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135581 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.284 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00861835 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB08971 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1206 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1206 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL251634 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/65VXC1MH0J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.871H enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D04218 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144719 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C80819 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL251634 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9053 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q5462793 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Fluocortolone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8addc5f5-8e98-49b7-ae11-50c6e6ff2265 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8806c541-e5b9-44f6-ba65-7216d2a91388 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
492934a5-9851-400f-984b-79a076fcf688 Environmental → Air → Indoor EF 3.1 kg 2
8a5479be-6fb4-4d23-99af-5f6d96ac62bd Environmental → Air → Long-term EF 3.1 kg 0
2025b62b-2b69-4038-97ce-68124332d94b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d22ac9c7-47da-46d8-b562-ec7f27ded2ec Environmental → Air → Unknown EF 3.1 kg 2
8e2c675d-1864-421c-b72a-4e5df4285242 Environmental → Ground → Agricultural EF 3.1 kg 2
d0ed652f-bd5f-4dae-9601-d266e770689e Environmental → Ground → Non-agricultural EF 3.1 kg 2
5cd152cf-91ce-4964-9767-1fac1af8fc72 Environmental → Ground → Unknown EF 3.1 kg 2
d5ea0f13-a372-4ec9-b621-9dd23aa11913 Environmental → Water → Long-term EF 3.1 kg 0
d438b9be-f4e6-448f-995c-b571a736c45e Environmental → Water → Ocean EF 3.1 kg 2
14a6171b-669c-4635-8bf7-32770275e212 Environmental → Water → Surface water EF 3.1 kg 2
6729d978-96b9-41f7-bce3-71873d77ecc8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-de48342a4322f595",
  "prefLabel": [
    {
      "@value": "6-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",
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  ],
  "altLabel": [
    {
      "@value": "(6α,11β,16α)-6-Fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione",
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    },
    {
      "@value": "16α-Methyl-6α-fluoro-Δ1,4-pregnadien-11β,21-diol-3,20-dione",
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      "@value": "6α-Fluoro-16α-methyl-Δ1-corticosterone",
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    },
    {
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