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

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ChEBI Name diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate
ChEBI ID CHEBI:131852
Definition A 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that is ethyl diethylphosphonate in the hydrogen at position 1 of the ethyl group attached to the phosphorus has been replaced by a [(2-chloroethyl)(nitroso)carbamoyl]amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H19ClN3O5P
Net Charge 0
Average Mass 315.691
Monoisotopic Mass 315.075
InChI InChI=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)
InChIKey YAKWPXVTIGTRJH-UHFFFAOYSA-N
SMILES C(NC(P(=O)(OCC)OCC)C)(N(N=O)CCCl)=O
ChEBI Ontology
Outgoing 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 (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
Last Modified
27 April 2016
General Comment
2016-04-27 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)-fotemustine and (S)-fotemustine] and for the racemate (fotemustine).