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

Identification

Generic Name
Neosaxitoxin
DrugBank Accession Number
DB12989
Background

Neosaxitoxin is under investigation in clinical trial NCT01786655 (Safety Study of Long-Acting Local Anesthetic).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 315.2859
Monoisotopic: 315.129116689
Chemical Formula
C10H17N7O5
Synonyms
Not Available

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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when 1,2-Benzodiazepine is combined with Neosaxitoxin.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Neosaxitoxin.
AcetophenazineThe risk or severity of adverse effects can be increased when Acetophenazine is combined with Neosaxitoxin.
AcetyldigitoxinThe risk or severity of Cardiac Arrhythmia can be increased when Neosaxitoxin is combined with Acetyldigitoxin.
AclidiniumNeosaxitoxin may increase the central nervous system depressant (CNS depressant) activities of Aclidinium.
AgomelatineThe risk or severity of adverse effects can be increased when Agomelatine is combined with Neosaxitoxin.
AlfentanilThe risk or severity of adverse effects can be increased when Alfentanil is combined with Neosaxitoxin.
AlimemazineThe risk or severity of adverse effects can be increased when Alimemazine is combined with Neosaxitoxin.
AlmotriptanThe risk or severity of adverse effects can be increased when Almotriptan is combined with Neosaxitoxin.
AlosetronThe risk or severity of adverse effects can be increased when Alosetron is combined with Neosaxitoxin.
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Food Interactions
Not Available

Products

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International/Other Brands
NeoSTX

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. These are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Saxitoxins, gonyautoxins, and derivatives
Sub Class
Not Available
Direct Parent
Saxitoxins, gonyautoxins, and derivatives
Alternative Parents
Alkaloids and derivatives / Imidazopyrimidines / Diazinanes / N-hydroxyguanidines / Pyrrolidines / Carbamate esters / Imidazolines / Organic carbonic acids and derivatives / Propargyl-type 1,3-dipolar organic compounds / Azacyclic compounds
show 8 more
Substituents
1,3-diazinane / 2-imidazoline / Aliphatic heteropolycyclic compound / Alkaloid or derivatives / Azacycle / Carbamic acid ester / Carbonic acid derivative / Carbonyl group / Carbonyl hydrate / Carboximidamide
show 17 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
6YRL8BWD9H
CAS number
64296-20-4
InChI Key
PPEKGEBBBBNZKS-HGRQIUPRSA-N
InChI
InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1
IUPAC Name
[(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-1H,3aH,4H,5H,6H,8H,9H,10H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
SMILES
[H][C@@]12N=C(N)N[C@]11N(CCC1(O)O)C(=N)N(O)[C@H]2COC(N)=O

References

General References
Not Available
Human Metabolome Database
HMDB0029369
PubChem Compound
21117946
PubChem Substance
347829128
ChemSpider
19975931
Wikipedia
Neosaxitoxin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableSafety of Neosaxitoxin in Healthy Volunteers1
1CompletedTreatmentHealthy Subjects (HS)1
1TerminatedOtherAnalgesia / Anesthesia therapy / Local Anaesthesia therapy1

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 Solubility4.3 mg/mLALOGPS
logP-2ALOGPS
logP-2.4ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)10.75ChemAxon
pKa (Strongest Basic)8.64ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area193.75 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity79.89 m3·mol-1ChemAxon
Polarizability28.67 Å3ChemAxon
Number of Rings3ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Drug created at October 21, 2016 01:48 / Updated at June 12, 2020 16:53