NAV

Trofosfamide

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

Identification

Generic Name
Trofosfamide
DrugBank Accession Number
DB12902
Background

Trofosfamide has been used in trials studying the treatment of Ependymomas, Medulloblastomas, Sarcoma, Soft Tissue, Supratentorial PNETs, and Recurrent Brain Tumors.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 323.58
Monoisotopic: 322.0171479
Chemical Formula
C9H18Cl3N2O2P
Synonyms
  • Trofosfamide
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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

Hover over products below to view reaction partners

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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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AbataceptThe risk or severity of adverse effects can be increased when Abatacept is combined with Trofosfamide.
AdalimumabThe risk or severity of adverse effects can be increased when Adalimumab is combined with Trofosfamide.
Adenovirus type 7 vaccine liveThe risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Trofosfamide.
AldesleukinThe risk or severity of adverse effects can be increased when Aldesleukin is combined with Trofosfamide.
AlefaceptThe risk or severity of adverse effects can be increased when Alefacept is combined with Trofosfamide.
Food Interactions
Not Available

Categories

ATC Codes
L01AA07 — Trofosfamide
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as isofamides. These are oxazaphospholanes containing the isofamide skeleton. Isofamide is a heterocyclic compound made up of a 1,3,2-oxazaphospholane, where the phosphorus atom is part of a phosphodiamide group, and the oxazaphospholane is substituted by two haloalkyl chains.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Oxazaphosphinanes
Sub Class
Isofamides
Direct Parent
Isofamides
Alternative Parents
Nitrogen mustard compounds / Phosphoric monoester diamides / Oxacyclic compounds / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organochlorides / Organic oxides / Hydrocarbon derivatives / Alkyl chlorides
Substituents
Aliphatic heteromonocyclic compound / Alkyl chloride / Alkyl halide / Azacycle / Hydrocarbon derivative / Isofamide / Nitrogen mustard / Organic nitrogen compound / Organic oxide / Organic oxygen compound
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
H64JRU6GJ0
CAS number
22089-22-1
InChI Key
UMKFEPPTGMDVMI-UHFFFAOYSA-N
InChI
InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2
IUPAC Name
2-[bis(2-chloroethyl)amino]-3-(2-chloroethyl)-1,3,2lambda5-oxazaphosphinan-2-one
SMILES
ClCCN(CCCl)P1(=O)OCCCN1CCCl

References

General References
Not Available
PubChem Compound
65702
PubChem Substance
347829054
ChemSpider
59129
RxNav
38865
ChEBI
135381
ChEMBL
CHEMBL462019
Wikipedia
Trofosfamide

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentSoft Tissue Sarcoma1
2Unknown StatusTreatmentSoft Tissue Sarcoma1
2, 3CompletedTreatmentEpendymoma / Medulloblastomas / Recurrent Brain Tumors / Supra-tentorial Primative Neuro-Ectodermal Tumor (PNET)1
1, 2Unknown StatusTreatmentAdvanced Melanoma1

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 Solubility12.0 mg/mLALOGPS
logP1.4ALOGPS
logP0.98Chemaxon
logS-1.4ALOGPS
pKa (Strongest Basic)0.15Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area32.78 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity72.72 m3·mol-1Chemaxon
Polarizability29.81 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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-MSsplash10-01wr-1390000000-0afd21ebf3af426e20d9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0029000000-f37b94667d075b57e240
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0091000000-d7d589966d9ffd2a481a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00e9-5869000000-c2d84eded777e5edb7b5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-1319000000-693cb767246c94d82ab9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9550000000-eaf7c0301ff2bcd4160b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-9120000000-27018b9e0eeeba048bb7
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]-158.31847
predicted
DeepCCS 1.0 (2019)
[M+H]+160.67648
predicted
DeepCCS 1.0 (2019)
[M+Na]+167.42911
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:08 / Updated at February 21, 2021 18:54