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ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_28925
http://purl.obolibrary.org/obo/CHEBI_28925
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_28925
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Preferred name
mechlorethamine
Synonyms
2-chloro-N-(2-chloroethyl)-N-methylethanamine
Mechlorethamine
nitrogen mustard
2,2'-dichloro-N-methyldiethylamine
Chlormethine
N-methyl-bis(2-chloroethyl)amine
N-methyl-bis(beta-chloroethyl)amine
beta,beta'-dichlorodiethyl-N-methylamine
bis(2-chloroethyl)methylamine
bis(beta-chloroethyl)methylamine
chlormethine
methylbis(2-chloroethyl)amine
methylbis(beta-chloroethyl)amine
Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_36683
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http://purl.obolibrary.org/obo/CHEBI_37598
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rdfs:label
mechlorethamine
skos:notation
CHEBI:28925
oboinowl_gen:hasExactSynonym
2-chloro-N-(2-chloroethyl)-N-methylethanamine
Mechlorethamine
oboinowl_gen:hasDbXref
CAS:51-75-2
DrugBank:DB00888
Drug_Central:1647
KEGG:C07115
KEGG:D07671
Wikipedia:Mechlorethamine
oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:28925
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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oboinowl_gen:hasRelatedSynonym
nitrogen mustard
2,2'-dichloro-N-methyldiethylamine
Chlormethine
N-methyl-bis(2-chloroethyl)amine
N-methyl-bis(beta-chloroethyl)amine
beta,beta'-dichlorodiethyl-N-methylamine
bis(2-chloroethyl)methylamine
bis(beta-chloroethyl)methylamine
chlormethine
methylbis(2-chloroethyl)amine
methylbis(beta-chloroethyl)amine
oboinowl_gen:hasAlternativeId
CHEBI:25557
CHEBI:6708
obo_purl:charge
0
obo_purl:formula
C5H11Cl2N
obo_purl:inchi
InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3
obo_purl:inchikey
HAWPXGHAZFHHAD-UHFFFAOYSA-N
obo_purl:mass
156.05298
obo_purl:monoisotopicmass
155.02685
obo_purl:smiles
CN(CCCl)CCCl
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