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CHEBI:7576 - nimustine hydrochloride

ChEBI IDCHEBI:7576
ChEBI Namenimustine hydrochloride
Stars
DefinitionA hydrochloride obtained by combining nimustine with one equivalent of hydrochloric acid. An antineoplastic agent especially effective against malignant brain tumors.
Last Modified20 August 2013
DownloadsMolfile
FormulaC9H13ClN6O2.HCl
Net Charge0
Average Mass309.157
Monoisotopic Mass308.05553
SMILESCc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1.Cl
InChIInChI=1S/C9H13ClN6O2.ClH/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);1H
InChIKeyKPMKNHGAPDCYLP-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
nimustine hydrochloride (CHEBI:7576) has part nimustine(1+) (CHEBI:75271)
nimustine hydrochloride (CHEBI:7576) has role antineoplastic agent (CHEBI:35610)
nimustine hydrochloride (CHEBI:7576) is a hydrochloride (CHEBI:36807)
IUPAC Name 
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea hydrochloride
Synonyms  Source
Nimustine hydrochlorideKEGG COMPOUND
ACNUKEGG COMPOUND
Nimustina clorhidratoChemIDplus
Nimustine HClChemIDplus
nimustine monohydrochlorideChEBI
Manual XrefsDatabases
C11276KEGG COMPOUND
D01059KEGG DRUG
Registry NumbersSources
Reaxys:4220350Reaxys
CAS:55661-38-6KEGG COMPOUND
CAS:55661-38-6ChemIDplus