Remogliflozin etabonate

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
Remogliflozin etabonate
Accession Number
DB12935
Type
Small Molecule
Groups
Investigational
Description

Remogliflozin etabonate has been used in trials studying the treatment and basic science of Type 2 Diabetes Mellitus and Diabetes Mellitus, Type 2.

Structure
Thumb
Synonyms
Not Available
External IDs
GSK-189075 / GSK-189075A / GSK189075A
Categories
UNII
TR0QT6QSUL
CAS number
442201-24-3
Weight
Average: 522.595
Monoisotopic: 522.257730812
Chemical Formula
C26H38N2O9
InChI Key
UAOCLDQAQNNEAX-ABMICEGHSA-N
InChI
InChI=1S/C26H38N2O9/c1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5/h8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3/t20-,21-,22+,23-,25+/m1/s1
IUPAC Name
ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-methyl-1-(propan-2-yl)-4-{[4-(propan-2-yloxy)phenyl]methyl}-1H-pyrazol-3-yl]oxy}oxan-2-yl]methyl carbonate
SMILES
CCOC(=O)OC[C@H]1O[C@@H](OC2=NN(C(C)C)C(C)=C2CC2=CC=C(OC(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9871420
PubChem Substance
347829080
ChemSpider
8047110
ChEMBL
CHEMBL2028665
Wikipedia
Remogliflozin_etabonate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceType 2 Diabetes Mellitus1
1CompletedTreatmentType 2 Diabetes Mellitus1

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 Solubility0.189 mg/mLALOGPS
logP3.33ALOGPS
logP3.52ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)12.2ChemAxon
pKa (Strongest Basic)1.49ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area141.73 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity144.61 m3·mol-1ChemAxon
Polarizability55.03 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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 o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
O-glycosyl compounds
Alternative Parents
Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Oxanes / Monosaccharides / Carbonic acid diesters / Pyrazoles / Heteroaromatic compounds / Secondary alcohols / Polyols
show 8 more
Substituents
O-glycosyl compound / Phenoxy compound / Phenol ether / Alkyl aryl ether / Monocyclic benzene moiety / Carbonic acid diester / Monosaccharide / Benzenoid / Oxane / Azole
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:25 / Updated on June 04, 2019 07:45