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CHEBI:75271 - nimustine(1+)

ChEBI IDCHEBI:75271
ChEBI Namenimustine(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of nimustine.
Last Modified13 January 2020
SubmitterSteve
DownloadsMolfile
FormulaC9H14ClN6O2
Net Charge+1
Average Mass273.704
Monoisotopic Mass273.08613
SMILESCc1nc(N)c(CNC(=O)N(CCCl)N=O)c[nH+]1
InChIInChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)/p+1
InChIKeyVFEDRRNHLBGPNN-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
nimustine(1+) (CHEBI:75271) is a organic cation (CHEBI:25697)
nimustine(1+) (CHEBI:75271) is conjugate acid of nimustine (CHEBI:75270)
Incoming Relation(s)
nimustine hydrochloride (CHEBI:7576) has part nimustine(1+) (CHEBI:75271)
nimustine (CHEBI:75270) is conjugate base of nimustine(1+) (CHEBI:75271)
IUPAC Name 
4-amino-5-({[(2-chloroethyl)(nitroso)carbamoyl]amino}methyl)-2-methylpyrimidin-1-ium
Synonym  Source
nimustine cationChEBI