NAV

Zytron

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

Identification

Generic Name
Zytron
DrugBank Accession Number
DB11768
Background

Zytron (DMPA) is under investigation for the treatment and health services research of HIV, Lactation, Contraception, Postpartum Depression, and Immune Cells (Mucosal and Systemic). DMPA has been investigated for the prevention, treatment, and basic science of Weight and Microbiota.

Type
Small Molecule
Groups
Approved, Investigational
Structure
3D
Similar Structures
Weight
Average: 314.16
Monoisotopic: 312.9859923
Chemical Formula
C10H14Cl2NO2PS
Synonyms
  • DMPA
  • O-(2,4-dichlorophenyl)-O-methyl-isopropylphosphoramidothioate
External IDs
  • DOW 1329
  • DOWCO 118
  • ENT-25647
  • K-22023
  • OMS-115
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Halobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Phenoxy compounds / Thiophosphoric acid esters / Aryl chlorides / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Organochlorides / Hydrocarbon derivatives
Substituents
1,3-dichlorobenzene / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Hydrocarbon derivative / Organic nitrogen compound / Organic oxygen compound / Organic thiophosphoric acid or derivatives / Organochloride / Organohalogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
IK51552IFH
CAS number
299-85-4
InChI Key
PJFGPJQBWSEWKX-UHFFFAOYSA-N
InChI
InChI=1S/C10H14Cl2NO2PS/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,13,17)
IUPAC Name
[(2,4-dichlorophenoxy)(methoxy)sulfanylidene-lambda5-phosphanyl](propan-2-yl)amine
SMILES
COP(=S)(NC(C)C)OC1=CC=C(Cl)C=C1Cl

References

General References
Not Available
PubChem Compound
9299
PubChem Substance
347828121
ChemSpider
8940

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00172 mg/mLALOGPS
logP4.47ALOGPS
logP3.91Chemaxon
logS-5.3ALOGPS
pKa (Strongest Acidic)9.85Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area30.49 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity76.59 m3·mol-1Chemaxon
Polarizability29.09 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-MSsplash10-0f7n-4960000000-6c6e7655381e908bd042
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0094000000-58abbb75ac9715729921
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-8e12af718788876b02a8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0791000000-a9567e692c42f5d4b336
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0729000000-eeacb5d10f2819c39586
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udr-0490000000-5f8535080b2926031e1d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01po-9700000000-6257b132b24c217cd65e
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]-155.87231
predicted
DeepCCS 1.0 (2019)
[M+H]+158.23032
predicted
DeepCCS 1.0 (2019)
[M+Na]+164.32344
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:46 / Updated at June 12, 2020 16:53