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> Main
CHEBI:7576 - nimustine hydrochloride
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ChEBI Ontology
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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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Molfile
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Molfile
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.
View more via ChEBI Ontology
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