Zytron

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

Identification

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Name
Zytron
Accession Number
DB11768
Type
Small Molecule
Groups
Approved, Investigational
Description

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.

Structure
Thumb
Synonyms
  • DMPA
  • O-(2,4-dichlorophenyl)-O-methyl-isopropylphosphoramidothioate
External IDs
DOW 1329 / DOWCO 118 / ENT-25647 / K-22023 / OMS-115
Categories
UNII
IK51552IFH
CAS number
299-85-4
Weight
Average: 314.16
Monoisotopic: 312.9859923
Chemical Formula
C10H14Cl2NO2PS
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

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

Clinical Trials

Clinical Trials
Not Available

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-MSNot Available
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

Taxonomy

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
Phenoxy compound / 1,3-dichlorobenzene / Organic thiophosphoric acid or derivatives / Thiophosphoric acid ester / Aryl halide / Aryl chloride / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Hydrocarbon derivative
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:46 / Updated on September 02, 2019 19:30