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Leptazoline C

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

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Data Packages
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Identification

Generic Name
Leptazoline C
DrugBank Accession Number
DB15553
Background

Leptazoline C is a polar oxazoline from the Cyanobacterium Leptolyngbya sp. Also see Leptazoline A, Leptazoline B, and Leptazoline D.

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 265.265
Monoisotopic: 265.095022587
Chemical Formula
C13H15NO5
Synonyms
Not Available
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Pharmacology

Indication

Not Available

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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
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Not Available
CAS number
Not Available
InChI Key
HYNVCGWXNJDHLB-HNBZJPLGSA-N
InChI
InChI=1S/C13H15NO5/c1-7-12(10(16)6-11(17)18)14-13(19-7)8-4-2-3-5-9(8)15/h2-5,7,10,12,15-16H,6H2,1H3,(H,17,18)/t7-,10+,12+/m0/s1
IUPAC Name
(3R)-3-hydroxy-3-[(4S,5S)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]propanoic acid
SMILES
C[C@@H]1OC(=N[C@H]1[C@H](O)CC(O)=O)C1=CC=CC=C1O

References

General References
Not Available
ChemSpider
81361128

Clinical Trials

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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 Solubility0.775 mg/mLALOGPS
logP0.67ALOGPS
logP1.62Chemaxon
logS-2.5ALOGPS
pKa (Strongest Acidic)3.8Chemaxon
pKa (Strongest Basic)1.82Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area99.35 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity66.15 m3·mol-1Chemaxon
Polarizability26.32 Å3Chemaxon
Number of Rings2Chemaxon
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/MSsplash10-000t-0190000000-d727740ade185fd1d043
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0nmi-0490000000-1274790de9b18b2e2af0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dj-1980000000-47913dbd4e938ee0ec55
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6r-3940000000-df6e26fb1b0d2ffd65c9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-4910000000-5afa6c2b3699b3bcb516
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9130000000-23fd3b880dc20906e145
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 14, 2019 21:33 / Updated at June 12, 2020 16:53