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Leptazoline D

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

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Identification

Generic Name
Leptazoline D
DrugBank Accession Number
DB15554
Background

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

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 354.359
Monoisotopic: 354.142701056
Chemical Formula
C16H22N2O7
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
XXWREFOKTUTPHF-ISTUKMMPSA-N
InChI
InChI=1S/C16H22N2O7/c1-8-12(13(22)14(23)15(24)17-9(6-19)7-20)18-16(25-8)10-4-2-3-5-11(10)21/h2-5,8-9,12-14,19-23H,6-7H2,1H3,(H,17,24)/t8-,12+,13-,14-/m0/s1
IUPAC Name
(2S,3S)-N-(1,3-dihydroxypropan-2-yl)-2,3-dihydroxy-3-[(4S,5S)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]propanamide
SMILES
C[C@@H]1OC(=N[C@H]1[C@H](O)[C@H](O)C(=O)NC(CO)CO)C1=CC=CC=C1O

References

General References
Not Available
ChemSpider
81361129

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 Solubility2.2 mg/mLALOGPS
logP-0.65ALOGPS
logP-0.9Chemaxon
logS-2.2ALOGPS
pKa (Strongest Acidic)10.36Chemaxon
pKa (Strongest Basic)1.83Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area151.84 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity86.47 m3·mol-1Chemaxon
Polarizability35.6 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-01pa-0193000000-5d4c41f2476d902ff6db
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0r09-9284000000-59973cba5074e3de7cff
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-6592000000-2780c63014e41ab0d7b9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ap0-4492000000-9ed138aee2dcb2a71a36
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-6940000000-fb75517ee51381a0f4d5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-9650000000-cfb2df66d4df9e3f776e
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