NAV

Remogliflozin etabonate

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

Identification

Generic Name
Remogliflozin etabonate
DrugBank Accession Number
DB12935
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 522.595
Monoisotopic: 522.257730812
Chemical Formula
C26H38N2O9
Synonyms
  • Remogliflozin etabonate
External IDs
  • GSK-189075
  • GSK-189075A
  • GSK189075A
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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
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.
DrugInteraction
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interactions in your software
AcarboseThe risk or severity of hypoglycemia can be increased when Acarbose is combined with Remogliflozin etabonate.
AcebutololThe therapeutic efficacy of Remogliflozin etabonate can be increased when used in combination with Acebutolol.
AcetazolamideThe therapeutic efficacy of Remogliflozin etabonate can be increased when used in combination with Acetazolamide.
AcetohexamideThe risk or severity of hypoglycemia can be increased when Acetohexamide is combined with Remogliflozin etabonate.
Acetyl sulfisoxazoleThe therapeutic efficacy of Remogliflozin etabonate can be increased when used in combination with Acetyl sulfisoxazole.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Acetal / Alcohol / Alkyl aryl ether / Aromatic heteromonocyclic compound / Azacycle / Azole / Benzenoid / Carbonic acid derivative / Carbonic acid diester / Carbonyl group
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
TR0QT6QSUL
CAS number
442201-24-3
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

References

General References
Not Available
PubChem Compound
9871420
PubChem Substance
347829080
ChemSpider
8047110
ChEMBL
CHEMBL2028665
ZINC
ZINC000003979756
Wikipedia
Remogliflozin_etabonate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDiabetes Mellitus, Noninsulin Dependent / Type 2 Diabetes Mellitus1
2CompletedTreatmentType 1 Diabetes Mellitus1
2CompletedTreatmentType 2 Diabetes Mellitus3
1CompletedBasic ScienceType 2 Diabetes Mellitus1
1CompletedTreatmentImpaired Renal Function / Type 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/MSsplash10-00dj-0640590000-2616598ee63a6d18c180
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000b-5911330000-140149a8a5a29cf8a615
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ff9-2340910000-961d49afc791f172df8b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-02aj-2101900000-a9a702d5dbd7f675d5ab
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0592-2943510000-2aa3d6b32b74befe92e4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9062410000-565710d3639df7a42f96
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-209.35806
predicted
DeepCCS 1.0 (2019)
[M+H]+211.74529
predicted
DeepCCS 1.0 (2019)
[M+Na]+217.57555
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:25 / Updated at February 21, 2021 18:54