Thiotepa
fo-61267003e927312b
Identity
- Type
- Neutral molecule
- CAS
- 52-24-4
- EC
- 200-135-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
43- 1,1′,1′′-Phosphinothioylidynetris[aziridine]
- AI 3-24916
- Aziridine, 1,1′,1′′-phosphinothioylidynetris-
- CBC 806495
- Girostan
- MeSH ID: D013852
- N,N′,N′′-Triethylenethiophosphoramide
- N,N′,N′′-Triethylenethiophosphortriamide
- NCI C01649
- oncotepa
- Oncothio-tepa
- Oncotiotepa
- Phosphine sulfide, tris(1-aziridinyl)-
- phosphorothioic acid triethylenetriamide
- Phosphorothioic triamide, N,N′,N′′-tri-1,2-ethanediyl-
- STEPA
- tepadina
- TESPA
- tespamin
- tespamine
- Thio-Tep
- thio-tepa
- Thio-Tepa S
- Thiofozil
- thiophosphamide
- Thiophosphoramide, N,N′,N′′-tri-1,2-ethanediyl-
- Thioplex
- Thiotef
- Thiotriethylenephosphoramide
- Tio-TEF
- Tiofosfamid
- Tiofosyl
- Tiofozil
- Tri(ethyleneimino)thiophosphoramide
- Tri-1-aziridinylphosphine sulfide
- Triaziridinylphosphine sulfide
- Triethylenethiophosphoramide
- Triethylenethiophosphorotriamide
- triethylenethiophosphortriamide
- Tris(1-aziridinyl)phosphine sulfide
- Tris(aziridinyl)phosphine sulfide
- Tris(aziridinyl)phosphine-thioxide
- TSPA
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FOCVUCIESVLUNU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2 |
| IUPAC name chemrof:IUPAC_name | Phosphine sulfide, tris(1-aziridinyl)- |
| Molecular formula chemrof:molecular_formula | C6H12N3PS |
| Molecular mass chemrof:molecular_mass | 189.224 |
| Monoisotopic mass chemrof:monoisotopic_mass | 189.048955, 189.04896 |
| SMILES string chemrof:smiles_string | S=P(N1CC1)(N1CC1)N1CC1 |
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=52-24-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9570 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.124 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0021339 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB04572 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:2638 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/2638 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6396 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758455 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL671 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/905Z5W3GKH | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015576 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.307H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07641 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00583 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07641 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00583 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-2194 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43621 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C875 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/UR3FXJZP9BKM | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL671 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5453 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2811 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=112651 | enrich_references.pubchem_identifier_url |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/10473 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q416507 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Thiotepa | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d86c61d0-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-8fda-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9ca0-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-8fdb-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9c9f-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9c9d-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-8fdf-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9c9e-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-8fdd-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-8fe0-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-8fdc-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 6ad16f0ee3fc68de516cb02058c9490554112d92 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-8fde-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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{
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{
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{
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{
"@value": "Thio-Tepa S",
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{
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{
"@value": "thiophosphamide",
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{
"@value": "Thiophosphoramide, N,N′,N′′-tri-1,2-ethanediyl-",
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},
{
"@value": "Thioplex",
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},
{
"@value": "Thiotef",
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},
{
"@value": "Thiotriethylenephosphoramide",
"@language": "en",
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},
{
"@value": "Tio-TEF",
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},
{
"@value": "Tiofosfamid",
"@language": "en",
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},
{
"@value": "Tiofosyl",
"@language": "en",
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{
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},
{
"@value": "Tri(ethyleneimino)thiophosphoramide",
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},
{
"@value": "Tri-1-aziridinylphosphine sulfide",
"@language": "en",
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"seed_uuid": "08a91e70-3ddc-11dd-8fda-0050c2490048",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"52-24-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=52-24-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=52-24-4"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"200-135-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=200-135-7"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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