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CHEBI:131854 - (S)-fotemustine

ChEBI IDCHEBI:131854
ChEBI Name(S)-fotemustine
Stars
ASCII Name(S)-fotemustine
DefinitionA diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate that has S configuration.
Last Modified27 April 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H19ClN3O5P
Net Charge0
Average Mass315.694
Monoisotopic Mass315.07509
SMILESCCOP(=O)(OCC)[C@@H](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)/t8-/m0/s1
InChIKeyYAKWPXVTIGTRJH-QMMMGPOBSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-fotemustine (CHEBI:131854) is a diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate (CHEBI:131852)
(S)-fotemustine (CHEBI:131854) is enantiomer of (R)-fotemustine (CHEBI:131853)
Incoming Relation(s)
fotemustine (CHEBI:131848) has part (S)-fotemustine (CHEBI:131854)
(R)-fotemustine (CHEBI:131853) is enantiomer of (S)-fotemustine (CHEBI:131854)
IUPAC Name 
diethyl [(1S)-1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl]phosphonate