Mechlorethamine
fo-1d60db444d0adb51
Identity
- Type
- Neutral molecule
- CAS
- 51-75-2
- EC
- 200-120-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
35- 2,2'-dichloro-N-methyldiethylamine
- 2,2′-Dichloro-N-methyldiethylamine
- 2-chloro-N-(2-chloroethyl)-N-methylethanamine
- beta,beta'-dichlorodiethyl-N-methylamine
- bis(2-chloroethyl)methylamine
- bis(beta-chloroethyl)methylamine
- Bis(β-chloroethyl)methylamine
- Chlorethazine
- Chlormethine
- Cloramin
- Di(2-chloroethyl)methylamine
- Diethylamine, 2,2′-dichloro-N-methyl-
- Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-
- HN2
- HN2 (amine)
- Ledaga
- MeSH ID: D008466
- Methyl-β,β-dichlorodiethylamine
- methylbis(2-chloroethyl)amine
- methylbis(beta-chloroethyl)amine
- Methylbis(β-chloroethyl)amine
- Methyldi(2-chloroethyl)amine
- Mustargen
- Mustine
- Mustine Note
- N,N-Bis(2-chloroethyl)methylamine
- N,N-Di(chloroethyl)methylamine
- N-Methyl-2,2′-dichlorodiethylamine
- N-methyl-bis(2-chloroethyl)amine
- N-methyl-bis(beta-chloroethyl)amine
- N-Methylbis(2-chloroethyl)amine
- N-Methylbis(β-chloroethyl)amine
- Nitrogen Mustard
- Nitrogen mustard (HN 2)
- Valchlor
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | HAWPXGHAZFHHAD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-chloro-N-(2-chloroethyl)-N-methylethanamine |
| Molecular formula chemrof:molecular_formula | C5H11Cl2N |
| Molecular mass chemrof:molecular_mass | 156.056 |
| Monoisotopic mass chemrof:monoisotopic_mass | 155.02685, 155.026855 |
| SMILES string chemrof:smiles_string | CN(CCCl)CCCl |
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=51-75-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28925 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.110 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2020975 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00888 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00888 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1647 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1647 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757087 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL427 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/50D9XSG0VR | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0015025 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2921.19.61.30 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.305A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07115 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D07671 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07115 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D07671 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43162 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C62056 | enrich_references.pubchem_identifier_url |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA450336 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL427 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4033 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=123906 | enrich_references.pubchem_identifier_url |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/6674 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q418011 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Chlormethine | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Mechlorethamine | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d86c61ce-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-a286-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-a285-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-943d-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-a284-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-a282-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9441-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-a283-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-943f-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9442-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-943e-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 9fcee44d50a5ddfa7e768709a861f4a360e6b668 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-9440-0050c2490048 | 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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{
"@value": "Methyl-β,β-dichlorodiethylamine",
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},
{
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{
"@value": "methylbis(beta-chloroethyl)amine",
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{
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},
{
"@value": "Methyldi(2-chloroethyl)amine",
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{
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},
{
"@value": "Mustine",
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{
"@value": "Mustine Note",
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},
{
"@value": "N,N-Bis(2-chloroethyl)methylamine",
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},
{
"@value": "N,N-Di(chloroethyl)methylamine",
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},
{
"@value": "N-Methyl-2,2′-dichlorodiethylamine",
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},
{
"@value": "N-methyl-bis(2-chloroethyl)amine",
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},
{
"@value": "N-methyl-bis(beta-chloroethyl)amine",
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},
{
"@value": "N-Methylbis(2-chloroethyl)amine",
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},
{
"@value": "N-Methylbis(β-chloroethyl)amine",
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},
{
"@value": "Nitrogen Mustard",
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{
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},
{
"@value": "Valchlor",
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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