99mTc-HYNIC (Tyr3)-octreotide

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

Identification

Generic Name
99mTc-HYNIC (Tyr3)-octreotide
DrugBank Accession Number
DB17161
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 1494.88
Monoisotopic: 1493.4127358
Chemical Formula
C61H81ClN15O17S2Tc
Synonyms
  • 99mtc-ethylenediamine n,n'-diacetic acid/hydrazinonicotinamide-tyr3-octreotide
  • 99mTc-HYNIC-[D-Phe1,Tyr3-Octreotide]
  • 99mTc-Hynic-TOC
  • 99mTcEDDA/HYNIC-TOC
  • Hynic (tyr3)-octreotide technetium tc-99m

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

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

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Product Ingredients
IngredientUNIICASInChI Key
99mTc-HYNIC (Tyr3)-octreotide trifluoroacetateNot AvailableNot AvailableNot applicable

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
534I87AT7J
CAS number
913556-61-3
InChI Key
LGXRRVXXRJRTHK-HWLOXKIFSA-I
InChI
InChI=1S/C55H71N13O12S2.C6H12N2O4.ClH.H2O.Tc/c1-30(70)43(27-69)64-54(79)45-29-82-81-28-44(65-51(76)40(22-32-10-4-3-5-11-32)61-48(73)34-17-20-46(68-57)59-25-34)53(78)62-41(23-33-15-18-36(72)19-16-33)50(75)63-42(24-35-26-58-38-13-7-6-12-37(35)38)52(77)60-39(14-8-9-21-56)49(74)67-47(31(2)71)55(80)66-45;9-5(10)3-7-1-2-8-4-6(11)12;;;/h3-7,10-13,15-20,25-26,30-31,39-45,47,58,69-72H,8-9,14,21-24,27-29,56-57H2,1-2H3,(H,59,68)(H,60,77)(H,61,73)(H,62,78)(H,63,75)(H,64,79)(H,65,76)(H,66,80)(H,67,74);7-8H,1-4H2,(H,9,10)(H,11,12);1H;1H2;/q;;;;+5/p-5/t30-,31-,39+,40-,41?,42-,43-,44+,45?,47?;;;;/m1..../s1/i;;;;1+2
IUPAC Name
(99Tc)technetium(5+) 2-({2-[(carboxylatomethyl)amino]ethyl}amino)acetate 4-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-19-[(2R)-2-[(6-hydrazinylpyridin-3-yl)formamido]-3-phenylpropanamido]-7-[(1R)-1-hydroxyethyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-16-yl]methyl}benzen-1-olate chloride hydroxide
SMILES
[OH-].[Cl-].[99Tc+5].[O-]C(=O)CNCCNCC([O-])=O.C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C2=CN=C(NN)C=C2)C(=O)N[C@@H](CC2=CC=C([O-])C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

References

General References
Not Available
Not Available

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 Solubility0.0204 mg/mLALOGPS
logP0.93ALOGPS
logP-2Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)9.62Chemaxon
pKa (Strongest Basic)10.3Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count16Chemaxon
Hydrogen Donor Count15Chemaxon
Polar Surface Area409.3 Å2Chemaxon
Rotatable Bond Count27Chemaxon
Refractivity320.28 m3·mol-1Chemaxon
Polarizability119.6 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 22, 2022 20:12 / Updated at March 02, 2024 06:45