Indium In-111 pentetreotide

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

Identification

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Name
Indium In-111 pentetreotide
Accession Number
DB11835  (DB09503)
Type
Small Molecule
Groups
Approved, Investigational
Description

Indium In 111 pentetreotide (Octreoscan) has been used in trials studying the diagnostic of SARCOIDOSIS, Solid Tumors, and cushing syndrome.

Structure
Thumb
Synonyms
  • 111In-Pentetreotide
  • Indium (111In) pentetreotide
  • Indium In 111 pentetreotide
  • Indium In 111 Pentreotide
  • Indium In-111 pentetreotide
External IDs
MP 1727 / MP-1727
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
OctreoscanIndium In-111 pentetreotide (10 ug/1mL) + Indium In-111 chloride (3 mCi/1mL)KitIntravenousCurium US LLC2015-10-14Not applicableUs
OctreoscanIndium In-111 pentetreotide (10 ug/1mL) + Indium In-111 chloride (3 mCi/1mL)KitIntravenousMallinckrodt2007-05-012017-07-01Us
Categories
UNII
M312JJ6Z32
CAS number
139096-04-1
Weight
Average: 1472.41
Monoisotopic: 1471.416070009
Chemical Formula
C62H80InN12O19S2
InChI Key
ZKZPXKKVDJOAIS-JWFOFJTQSA-J
InChI
InChI=1S/C62H84N12O19S2.In/c1-35(76)47(32-75)69-59(88)49-34-95-94-33-48(70-55(84)44(25-37-13-5-3-6-14-37)65-50(78)29-74(31-52(81)82)24-23-73(30-51(79)80)22-20-41(61(90)91)62(92)93)58(87)67-45(26-38-15-7-4-8-16-38)56(85)68-46(27-39-28-64-42-18-10-9-17-40(39)42)57(86)66-43(19-11-12-21-63)54(83)72-53(36(2)77)60(89)71-49;/h3-10,13-18,28,35-36,41,43-49,53,64,75-77H,11-12,19-27,29-34,63H2,1-2H3,(H,65,78)(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)(H,79,80)(H,81,82)(H,90,91)(H,92,93);/q;+3/p-4/i;1-4
IUPAC Name
(111In)indium(3+) ion 2-{[2-({[(1-{[10-(4-aminobutyl)-16-benzyl-4-[(1,3-dihydroxybutan-2-yl)-C-hydroxycarbonimidoyl]-6,12,15,18-tetrahydroxy-7-(1-hydroxyethyl)-13-[(1H-indol-3-yl)methyl]-9-oxido-1,2-dithia-5,8,11,14,17-pentaazacycloicosa-5,8,11,14,17-pentaen-19-yl]-C-hydroxycarbonimidoyl}-2-phenylethyl)-C-hydroxycarbonimidoyl]methyl}(carboxymethyl)amino)ethyl](3,3-dicarboxypropyl)amino}acetate
SMILES
[111In+3].CC(O)C(CO)N=C(O)C1CSSCC(N=C(O)C(CC2=CC=CC=C2)N=C([O-])CN(CCN(CCC(C(O)=O)C(O)=O)CC([O-])=O)CC([O-])=O)C(O)=NC(CC2=CC=CC=C2)C(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=NC(CCCCN)C([O-])=NC(C(C)O)C(O)=N1

Pharmacology

Indication
Not Available
Associated Conditions
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
PubChem Compound
131704321
PubChem Substance
347828180
ATC Codes
V09IB01 — Indium (111in) pentetreotide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2TerminatedDiagnosticGastroenteropancreatic Neuroendocrine Tumors1
2RecruitingDiagnosticCushing's Syndrome1
4TerminatedDiagnosticTumors, Solid1
Not AvailableCompletedDiagnosticSarcoidosis1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
KitIntravenous
Prices
Not Available
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)
US6123916No2000-09-262017-09-26Us
US5776894No1998-07-072015-07-07Us
Additional Data Available
  • Filed On
    Filed On

    The date on which a patent was filed with the relevant government.

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Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0217 mg/mLALOGPS
logP1.24ALOGPS
logP3.79ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)2.08ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count30ChemAxon
Hydrogen Donor Count13ChemAxon
Polar Surface Area530.22 Å2ChemAxon
Rotatable Bond Count32ChemAxon
Refractivity391.61 m3·mol-1ChemAxon
Polarizability136.16 Å3ChemAxon
Number of Rings5ChemAxon
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

Taxonomy

Classification
Not classified

Drug created on October 20, 2016 14:52 / Updated on September 02, 2019 19:32