NAV

Ampiroxicam

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

Identification

Generic Name
Ampiroxicam
DrugBank Accession Number
DB16877
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 447.46
Monoisotopic: 447.110021202
Chemical Formula
C20H21N3O7S
Synonyms
  • Ampiroxicam
External IDs
  • CP 65703
  • CP-65703
  • NSC-759807
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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
0PV32JZB1J
CAS number
99464-64-9
InChI Key
LSNWBKACGXCGAJ-UHFFFAOYSA-N
InChI
InChI=1S/C20H21N3O7S/c1-4-28-20(25)30-13(2)29-18-14-9-5-6-10-15(14)31(26,27)23(3)17(18)19(24)22-16-11-7-8-12-21-16/h5-13H,4H2,1-3H3,(H,21,22,24)
IUPAC Name
ethyl 1-({2-methyl-1,1-dioxo-3-[(pyridin-2-yl)carbamoyl]-2H-1lambda6,2-benzothiazin-4-yl}oxy)ethyl carbonate
SMILES
CCOC(=O)OC(C)OC1=C(N(C)S(=O)(=O)C2=CC=CC=C12)C(=O)NC1=NC=CC=C1

References

General References
Not Available
Human Metabolome Database
HMDB0248361
ChemSpider
2091
ChEBI
31210
ChEMBL
CHEMBL1566249
Wikipedia
Ampiroxicam

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 Solubility0.0421 mg/mLALOGPS
logP3.55ALOGPS
logP2.17Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)11.6Chemaxon
pKa (Strongest Basic)3.96Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area124.13 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity113.26 m3·mol-1Chemaxon
Polarizability43.81 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-0532-0009600000-cb2ac14bc396a28cbef0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-0069000000-4597586b5be0009ebe45
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ot-9041000000-6ddc98a3498877115f3c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000t-3209600000-fcc310dda1141a4c320e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-3291000000-9eaf72da15529c877fe8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ec-5958500000-7393e3e28f922ebd450b
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]-194.58708
predicted
DeepCCS 1.0 (2019)
[M+H]+196.94505
predicted
DeepCCS 1.0 (2019)
[M+Na]+203.03822
predicted
DeepCCS 1.0 (2019)

Drug created at July 28, 2022 14:53 / Updated at December 01, 2022 11:32