Henagliflozin

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
Henagliflozin
Accession Number
DB11939
Type
Small Molecule
Groups
Investigational
Description

Henagliflozin has been used in trials studying the treatment of Type 2 Diabetes.

Structure
Thumb
Synonyms
Not Available
External IDs
SHR-3824 / SHR3824
Categories
Not Available
UNII
21P2M98388
CAS number
1623804-44-3
Weight
Average: 454.88
Monoisotopic: 454.119459
Chemical Formula
C22H24ClFO7
InChI Key
HYTPDMFFHVZBOR-VNXMGFANSA-N
InChI
InChI=1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22+/m0/s1
IUPAC Name
(1R,2S,3S,4R,5R)-5-{4-chloro-3-[(4-ethoxy-3-fluorophenyl)methyl]phenyl}-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
SMILES
CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)C=C1F

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
56832738
PubChem Substance
347828266
ChemSpider
52083652

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentType 2 Diabetes Mellitus4
1Not Yet RecruitingTreatmentType 2 Diabetes Mellitus1
1RecruitingTreatmentHepatic Impairment1
1RecruitingTreatmentRenal Insufficiency,Type 2 Diabetes1
1RecruitingTreatmentType 2 Diabetes Mellitus1
1Unknown StatusTreatmentType 2 Diabetes Mellitus2
3Not Yet RecruitingTreatmentType 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 Solubility0.182 mg/mLALOGPS
logP2.19ALOGPS
logP2.46ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)11.98ChemAxon
pKa (Strongest Basic)-3.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area108.61 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity109.29 m3·mol-1ChemAxon
Polarizability44.48 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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 diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Phenol ethers / Phenoxy compounds / Alkyl aryl ethers / Chlorobenzenes / Fluorobenzenes / Ketals / Oxepanes / Monosaccharides / Aryl fluorides / Aryl chlorides
show 9 more
Substituents
Diphenylmethane / Phenoxy compound / Phenol ether / Fluorobenzene / Halobenzene / Chlorobenzene / Oxepane / Ketal / Alkyl aryl ether / Monosaccharide
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:02 / Updated on June 04, 2019 07:29