Ifosfamide
fo-bc114d390eb3cc13
Identity
- Type
- Neutral molecule
- CAS
- 3778-73-2
- EC
- 223-237-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
What it is used for
1
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
Alternative labels
26- (2-Chloro-ethyl)-[3-(2-chloro-ethyl)-2-oxo-2λ*5*-[1,3,2]oxazaphosphinan-2-yl]-amine
- (±)-Ifosfamide
- 2H-1,3,2-Oxazaphosphorin-2-amine, N,3-bis(2-chloroethyl)tetrahydro-, 2-oxide
- 2H-1,3,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]tetrahydro-, 2-oxide
- 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide
- 3-(2-Chloroethyl)-2-(2-chloroethylamino)tetrahydro-2H-1,3,2-oxaazaphosphorin 2-oxide
- 3-(2-Chloroethyl)-2-(2-chloroethylamino)tetrahydro-2H-1,3,2-oxazaphosphorin 2-oxide
- 3-(2-Chloroethyl)-2-(2-chloroethylamino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide
- Asta Z 4942
- Holoxan
- Ifex
- Ifomide
- Ifosfamid
- ifosfamida
- ifosfamidum
- Ifosfomide
- Ifosphamide
- Iphosphamide
- Isoendoxan
- Isofosfamide
- Isophosphamide
- isosfamide
- MeSH ID: D007069
- Mitoxana
- N,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide
- Naxamide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | HOMGKSMUEGBAAB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12) |
| IUPAC name chemrof:IUPAC_name | 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide |
| Molecular formula chemrof:molecular_formula | C7H15Cl2N2O2P |
| Molecular mass chemrof:molecular_mass | 261.089 |
| Monoisotopic mass chemrof:monoisotopic_mass | 260.02482 |
| SMILES string chemrof:smiles_string | O=P1(NCCCl)OCCCN1CCCl |
Known URLs
35Where 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 |
|---|---|---|
| beilstein | beilstein:611835 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=3778-73-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5864 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.021.126 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7020760 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB01181 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB01181 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1421 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1421 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=109724 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=759154 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1024 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UM20QQM95Y | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015312 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.196B | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J26.476H | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J599.676G | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J599.677E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07047 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00343 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07047 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00343 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5118 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43398 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C564 | enrich_references.pubchem_identifier_url |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA449964 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1024 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3690 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=126436 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11550152 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11669554 | enrich_references.chebi_xrefs |
| reaxys | reaxys:5802893 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/5657 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q418560 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Ifosfamide | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1f3172a4-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a560-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a55f-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a561-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a55e-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a55c-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a565-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a55d-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a563-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-adf3-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a562-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 2dcc5dd921350542c18c2c32733172de355f0170 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-a564-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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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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{
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{
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"properties": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}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