NAV

Mafosfamide

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

Identification

Generic Name
Mafosfamide
DrugBank Accession Number
DB12083
Background

Mafosfamide has been used in trials studying the treatment of Lymphoma, Leukemia, Meningeal Neoplasm, and Brain and Central Nervous System Tumors.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 401.25
Monoisotopic: 399.9850065
Chemical Formula
C9H19Cl2N2O5PS2
Synonyms
  • Mafosfamide
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Mafosfamide is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Mafosfamide is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Mafosfamide is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Mafosfamide is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Mafosfamide is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Nitrogen mustard compounds
Direct Parent
Nitrogen mustard compounds
Alternative Parents
Phosphoric monoester diamides / Oxazaphosphinanes / Sulfonyls / Organosulfonic acids / Alkanesulfonic acids / Sulfenyl compounds / Oxacyclic compounds / Dialkylthioethers / Azacyclic compounds / Organopnictogen compounds
show 5 more
Substituents
Aliphatic heteromonocyclic compound / Alkanesulfonic acid / Alkyl chloride / Alkyl halide / Azacycle / Dialkylthioether / Hydrocarbon derivative / Nitrogen mustard / Organic oxide / Organic oxygen compound
show 17 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
5970HH9923
CAS number
88859-04-5
InChI Key
PBUUPFTVAPUWDE-UGZDLDLSSA-N
InChI
InChI=1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)/t9-,19-/m0/s1
IUPAC Name
2-{[(2S,4S)-2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]sulfanyl}ethane-1-sulfonic acid
SMILES
OS(=O)(=O)CCS[C@H]1CCO[P@@](=O)(N1)N(CCCl)CCCl

References

General References
Not Available
PubChem Compound
76968809
PubChem Substance
347828389
ChemSpider
32697788
ZINC
ZINC000026160335
Wikipedia
Mafosfamide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentBrain and Central Nervous System Tumors1
1CompletedTreatmentLeukemias / Lymphoma / Meningeal Neoplasms1
1CompletedTreatmentMalignant Meningeal Neoplasms1
Not AvailableCompletedTreatmentBrain Neoplasm1

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 Solubility5.54 mg/mLALOGPS
logP-0.61ALOGPS
logP-0.83Chemaxon
logS-1.9ALOGPS
pKa (Strongest Acidic)-0.9Chemaxon
pKa (Strongest Basic)0.057Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area95.94 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity84.86 m3·mol-1Chemaxon
Polarizability36.04 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4i-2495000000-0ec60d8a4a3c92d1a5de
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0029000000-0f654b11cb470fd5ff13
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-fe8a9413fafaf03f7db7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pbc-0690400000-1b7e37cd5658ca2cb854
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0005-1449000000-2b31433af37dec67c30d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dl-9871000000-e6cd48015b7348ab7902
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a7j-4983000000-179ca125aa37f300d2f2
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-172.67729
predicted
DeepCCS 1.0 (2019)
[M+H]+175.0355
predicted
DeepCCS 1.0 (2019)
[M+Na]+181.94597
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:19 / Updated at February 21, 2021 18:53