CHEBI:7576 - nimustine hydrochloride

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ChEBI Name nimustine hydrochloride
ChEBI ID CHEBI:7576
Definition A hydrochloride obtained by combining nimustine with one equivalent of hydrochloric acid. An antineoplastic agent especially effective against malignant brain tumors.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C9H13ClN6O2.HCl
C9H14Cl2N6O2
Net Charge 0
Average Mass 309.15200
Monoisotopic Mass 308.05553
InChI InChI=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
InChIKey KPMKNHGAPDCYLP-UHFFFAOYSA-N
SMILES Cl.Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
ACNU KEGG COMPOUND
Nimustina clorhidrato ChemIDplus
Nimustine HCl ChemIDplus
Nimustine hydrochloride KEGG COMPOUND
nimustine monohydrochloride ChEBI
Manual Xrefs Databases
C11276 KEGG COMPOUND
D01059 KEGG DRUG
View more database links
Registry Numbers Types Sources
4220350 Reaxys Registry Number Reaxys
55661-38-6 CAS Registry Number ChemIDplus
Last Modified
20 August 2013