NAV

Florasulam

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

Identification

Generic Name
Florasulam
DrugBank Accession Number
DB15316
Background

Florasulam is under investigation in clinical trial NCT01193465 (Temperature and Humidity Among Different Anesthesia Work-station).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 359.28
Monoisotopic: 359.029994801
Chemical Formula
C12H8F3N5O3S
Synonyms
  • PRIMUS
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
00A64ZX8NB
CAS number
145701-23-1
InChI Key
QZXATCCPQKOEIH-UHFFFAOYSA-N
InChI
InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3
IUPAC Name
N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILES
COC1=NC=C(F)C2=NC(=NN12)S(=O)(=O)NC1=C(F)C=CC=C1F

References

General References
Not Available
KEGG Compound
C18850
ChemSpider
9875220
ChEBI
82009
ChEMBL
CHEMBL3185236
ZINC
ZINC000038276325

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0624 mg/mLALOGPS
logP2.4ALOGPS
logP2.09Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)8.8Chemaxon
pKa (Strongest Basic)-3.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area98.48 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity86.31 m3·mol-1Chemaxon
Polarizability28.56 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-03di-0009000000-a86d6f6c2b904c7e06d5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0aor-5009000000-d814f9ce39353bc36f70
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-4ce45347ca056776e965
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-4900000000-b11a7bb524c2f2395875
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02ai-3941000000-a9ce99a1a3127c034b9c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014r-3690000000-282f6502bcf6fb0ff6a5
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-182.5223902
predicted
DarkChem Lite v0.1.0
[M-H]-170.5992
predicted
DeepCCS 1.0 (2019)
[M+H]+182.9440902
predicted
DarkChem Lite v0.1.0
[M+H]+172.9572
predicted
DeepCCS 1.0 (2019)
[M+Na]+182.4057902
predicted
DarkChem Lite v0.1.0
[M+Na]+179.99945
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 15:12 / Updated at June 12, 2020 16:53