This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Nimustine
DrugBank Accession Number
DB13069
Background

Nimustine has been used in trials studying the treatment of Glioblastoma.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 272.69
Monoisotopic: 272.0788514
Chemical Formula
C9H13ClN6O2
Synonyms
  • Nimustina
  • Nimustine
  • Nimustinum

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Adverseeffects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
Darbepoetin alfaThe risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with Nimustine.
ErythropoietinThe risk or severity of Thrombosis can be increased when Erythropoietin is combined with Nimustine.
Methoxy polyethylene glycol-epoetin betaThe risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with Nimustine.
PeginesatideThe risk or severity of Thrombosis can be increased when Peginesatide is combined with Nimustine.
Interactions
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Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Nimustine hydrochlorideDFR965WKBU55661-38-6KPMKNHGAPDCYLP-UHFFFAOYSA-N

Categories

ATC Codes
L01AD06 — Nimustine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as hydropyrimidines. These are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Hydropyrimidines
Alternative Parents
Imidolactams / Heteroaromatic compounds / Organic N-nitroso compounds / Propargyl-type 1,3-dipolar organic compounds / Carboximidic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organochlorides / Organic oxides
show 2 more
Substituents
Alkyl chloride / Alkyl halide / Aromatic heteromonocyclic compound / Azacycle / Carboximidic acid derivative / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Imidolactam / Organic 1,3-dipolar compound
show 11 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
organic cation (CHEBI:75271)
Affected organisms
Not Available

Chemical Identifiers

UNII
0S726V972K
CAS number
42471-28-3
InChI Key
VFEDRRNHLBGPNN-UHFFFAOYSA-N
InChI
InChI=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)
IUPAC Name
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)-3-nitrosourea
SMILES
CC1=NC=C(CNC(=O)N(CCCl)N=O)C(N)=N1

References

General References
Not Available
PubChem Compound
39214
PubChem Substance
347829197
ChemSpider
35876
ChEBI
75270
ChEMBL
CHEMBL136737
ZINC
ZINC000003979156
Wikipedia
Nimustine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentGlioblastoma Multiforme (GBM)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.149 mg/mLALOGPS
logP0.8ALOGPS
logP0.63ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)12.94ChemAxon
pKa (Strongest Basic)6.26ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area113.57 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity68.55 m3·mol-1ChemAxon
Polarizability25.71 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 21, 2016 02:37 / Updated at February 21, 2021 18:54