Isoflurane
fo-f71b9a582ae3e9b4
Identity
- Type
- Neutral molecule
- CAS
- 26675-46-7
- EC
- 247-897-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 66 across every transformer
Structure
Alternative labels
24- (±)-Isoflurane
- 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether
- 2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
- 2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane
- Aerrane
- Attane
- Difluoromethyl 1-chloro-2,2,2-trifluoroethyl ether
- Escain
- Ethane, 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-
- Ether, 1-chloro-2,2,2-trifluoroethyl difluoromethyl
- Forane
- Forene
- HCFE 235da2
- HCFE-235da2
- Isoba
- IsoFlo (anesthetic)
- isoflurano
- isofluranum
- Isofor
- Isoforine
- Isorrane
- MeSH ID: D007530
- R-E 235da1
- Ethane, 1-chloro-2,2,2-trifluoro-(difluoromethoxy)-, HCFE-235da2
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PIWKPBJCKXDKJR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H |
| IUPAC name chemrof:IUPAC_name | 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether |
| Molecular formula chemrof:molecular_formula | C3H2ClF5O |
| Molecular mass chemrof:molecular_mass | 184.491 |
| Monoisotopic mass chemrof:monoisotopic_mass | 183.97143, 183.971433 |
| SMILES string chemrof:smiles_string | FC(F)OC(Cl)C(F)(F)F |
Known URLs
28Where 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=26675-46-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6015 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.043.528 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1435 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3020752 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00753 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00753 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1493 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1493 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1256 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CYS9AKD70P | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0014891 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.770G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07518 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00545 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07518 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00545 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53234 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65978 | enrich_references.pubchem_identifier_url |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA450106 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/XUMC5VNDWJVP | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1256 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3763 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=213021 | enrich_references.pubchem_identifier_url |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/6026 | enrich_references.pubchem_identifier_url |
| vsdb | vsdb:1804 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q413918 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Isoflurane | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3e4cdb77-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-a361-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 87262852-926f-4436-b6ac-2a471babcce0 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-a360-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-a362-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| fe0acd60-3ddc-11dd-a35f-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 3e4cdb75-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 3e4cdb78-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 3e4d0250-6556-11dd-ad8b-0800200c9a66 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 3e4d0252-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3e4cdb79-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 3e4cdb76-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 3e4d0251-6556-11dd-ad8b-0800200c9a66 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (66 changes)
Full record
Flow object JSON
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{
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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