NAV

Mazaticol

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

Identification

Generic Name
Mazaticol
DrugBank Accession Number
DB13448
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 405.57
Monoisotopic: 405.143236081
Chemical Formula
C21H27NO3S2
Synonyms
  • Mazaticol
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
AclidiniumThe risk or severity of adverse effects can be increased when Mazaticol is combined with Aclidinium.
AdenosineThe risk or severity of Tachycardia can be increased when Adenosine is combined with Mazaticol.
AlbuterolThe risk or severity of Tachycardia can be increased when Salbutamol is combined with Mazaticol.
AlfentanilThe risk or severity of adverse effects can be increased when Mazaticol is combined with Alfentanil.
AlloinThe therapeutic efficacy of Alloin can be decreased when used in combination with Mazaticol.
Food Interactions
Not Available

Categories

ATC Codes
N04AA10 — Mazaticol
Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
I6X824OGWZ
CAS number
42024-98-6
InChI Key
AMHPTVWBZSYFSS-OAGGEKHMSA-N
InChI
InChI=1S/C21H27NO3S2/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3/t14-,15-,16+/m1/s1
IUPAC Name
(1R,3R,5S)-6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl 2-hydroxy-2,2-bis(thiophen-2-yl)acetate
SMILES
CN1[C@@H]2CCC(C)(C)[C@@H]1C[C@@H](C2)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1

References

General References
Not Available
ChemSpider
52083134
ZINC
ZINC000100521081
Wikipedia
Mazaticol

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 Solubility0.0457 mg/mLALOGPS
logP4.18ALOGPS
logP4.01Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)10.4Chemaxon
pKa (Strongest Basic)9.36Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area49.77 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity107.83 m3·mol-1Chemaxon
Polarizability43.46 Å3Chemaxon
Number of Rings4Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-0900000000-7e474037a5a42565ff1d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0009100000-67dca133fe8edf9e8f37
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0600900000-a75e7b6aa68709a33224
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0408900000-6b65edd510ca1a0e706a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0346900000-8f2f1bc29f65444d2258
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-2911100000-364069d9097f95792b24
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-2921000000-268c964e9c6c4ba1fe0f
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]-188.67226
predicted
DeepCCS 1.0 (2019)
[M+H]+191.06783
predicted
DeepCCS 1.0 (2019)
[M+Na]+197.47896
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:42 / Updated at February 21, 2021 18:54