NAV

Etoposide toniribate

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

Identification

Generic Name
Etoposide toniribate
DrugBank Accession Number
DB17255
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 746.715
Monoisotopic: 746.242199892
Chemical Formula
C36H42O17
Synonyms
  • ((4rs)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl4-((5r,5ar,8ar,9s)-9-((4,6-o-((1r)-ethane-1,1-diyl)-.beta.-d-glucopyranosyl)oxy)-6-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo(3',4':6,7)naphtho(2,3-d)(1,3)dioxol-5-yl)-2,6-dimethoxyphenyl carbonate
  • Carbonic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-((5r,5ar,8ar,9s)-9-((4,6-o-(1r)-ethylidene-.beta.-d-glucopyranosyl)oxy)-5,5a,6,8,8a,9-hexahydro-6-oxofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-5-yl)-2,6-dimethoxyphenyl ester
  • Provp-16i
External IDs
  • CAP-7.1
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Pharmacology

Indication

Not Available

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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.
Not Available
Food Interactions
Not Available

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Active Moieties
NameKindUNIICASInChI Key
Etoposideprodrug6PLQ3CP4P333419-42-0VJJPUSNTGOMMGY-MRVIYFEKSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
A59HL2Q48U
CAS number
433304-61-1
InChI Key
FCWSQAKOPTZCOD-SQYSSJHTSA-N
InChI
InChI=1S/C36H42O17/c1-15-43-13-25-32(49-15)28(37)29(38)34(50-25)51-30-19-9-22-21(46-14-47-22)8-18(19)26(27-20(30)12-44-33(27)39)16-6-23(41-4)31(24(7-16)42-5)52-35(40)45-10-17-11-48-36(2,3)53-17/h6-9,15,17,20,25-30,32,34,37-38H,10-14H2,1-5H3/t15-,17?,20+,25-,26-,27+,28-,29-,30-,32-,34+/m1/s1
IUPAC Name
4-[(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-12-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-10-yl]-2,6-dimethoxyphenyl (2,2-dimethyl-1,3-dioxolan-4-yl)methyl carbonate
SMILES
[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC(=O)OCC3COC(C)(C)O3)C(OC)=C1)C1=C(C=C3OCOC3=C1)[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O

References

General References
Not Available
ChemSpider
59718650

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentAdvanced Endstage Solid Carcinomas in Adults1

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 Solubility0.194 mg/mLALOGPS
logP1.88ALOGPS
logP2.07Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)12.28Chemaxon
pKa (Strongest Basic)-3.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count15Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area194.59 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity174.26 m3·mol-1Chemaxon
Polarizability74.1 Å3Chemaxon
Number of Rings8Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 30, 2022 18:17 / Updated at December 01, 2022 11:36