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CHEBI:131852 - diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate

ChEBI IDCHEBI:131852
ChEBI Namediethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate
Stars
DefinitionA member of the class of N-nitrosoureas that is ethyl diethylphosphonate in the hydrogen at position 1 of the ethyl group attached to the phosphorus has been replaced by a [(2-chloroethyl)(nitroso)carbamoyl]amino group.
Last Modified27 April 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H19ClN3O5P
Net Charge0
Average Mass315.694
Monoisotopic Mass315.07509
SMILESCCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O
InChIInChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)
InChIKeyYAKWPXVTIGTRJH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate (CHEBI:131852) is a N-nitrosoureas (CHEBI:76551)
diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate (CHEBI:131852) is a organic phosphonate (CHEBI:37592)
diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate (CHEBI:131852) is a organochlorine compound (CHEBI:36683)
Incoming Relation(s)
(R)-fotemustine (CHEBI:131853) is a diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate (CHEBI:131852)
(S)-fotemustine (CHEBI:131854) is a diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate (CHEBI:131852)
IUPAC Name 
diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate