NAV

Mertiatide

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

Identification

Summary

Mertiatide is a radiopharmaceutical reconstituted with sodium pertechnetate for imaging of the kidney.

Generic Name
Mertiatide
DrugBank Accession Number
DB15780
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 263.27
Monoisotopic: 263.057591705
Chemical Formula
C8H13N3O5S
Synonyms
  • Mertiatide
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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

Products

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Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
8NVY8268MY
CAS number
66516-09-4
InChI Key
RXACEEPNTRHYBQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H13N3O5S/c12-5(2-10-7(14)4-17)9-1-6(13)11-3-8(15)16/h17H,1-4H2,(H,9,12)(H,10,14)(H,11,13)(H,15,16)
IUPAC Name
2-{2-[2-(2-sulfanylacetamido)acetamido]acetamido}acetic acid
SMILES
OC(=O)CNC(=O)CNC(=O)CNC(=O)CS

References

General References
  1. TITCK Product Information: NEPHROMAG (mertiatide) intravenous injection kit [Link]
ChemSpider
54775
ChEMBL
CHEMBL1615778
ZINC
ZINC000004194756

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, powder, for solution; kitIntravenous
Injection, powder, for solutionParenteral
KitIntravenous0.2 mg
PowderIntravenous0.2 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.29 mg/mLALOGPS
logP-1.1ALOGPS
logP-3.3Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)3.64Chemaxon
pKa (Strongest Basic)-4.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area124.6 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity58.88 m3·mol-1Chemaxon
Polarizability24.44 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
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/MSsplash10-03dr-0980000000-5038daaa9b125bf146a2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03xr-4590000000-4312e78adec0e4a8f8ed
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-015i-2900000000-68ab0578944da23c6d05
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-9300000000-874d0f63d4bc8168e4d7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014u-8900000000-7fe3adead3ae20ff5a45
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00du-9100000000-5c8b684df3569cd5df73
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]-166.2071239
predicted
DarkChem Lite v0.1.0
[M-H]-145.9928
predicted
DeepCCS 1.0 (2019)
[M+H]+162.9475239
predicted
DarkChem Lite v0.1.0
[M+H]+148.3508
predicted
DeepCCS 1.0 (2019)
[M+Na]+164.4168239
predicted
DarkChem Lite v0.1.0
[M+Na]+155.18144
predicted
DeepCCS 1.0 (2019)

Drug created at August 21, 2020 16:58 / Updated at May 14, 2021 01:08