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Details

Stereochemistry ABSOLUTE
Molecular Formula C63H83N13O19S2.In.H
Molecular Weight 1506.365
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDIUM IN-111 PENTETREOTIDE

SMILES

[H+].[In+3].[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN(CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)CC([O-])=O)[C@@H](C)O

InChI

InChIKey=ONJXCGCIKIYAPL-KUUVKUFMSA-K
InChI=1S/C63H87N13O19S2.In/c1-37(78)48(34-77)70-62(94)50-36-97-96-35-49(71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88)61(93)68-46(26-40-15-7-4-8-16-40)59(91)69-47(27-41-28-65-43-18-10-9-17-42(41)43)60(92)67-44(19-11-12-20-64)57(89)73-56(38(2)79)63(95)72-50;/h3-10,13-18,28,37-38,44-50,56,65,77-79H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88);/q;+3/p-3/t37-,38-,44+,45-,46+,47-,48-,49+,50+,56+;/m1./s1

HIDE SMILES / InChI

Molecular Formula In
Molecular Weight 114.818
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H
Molecular Weight 1.0079
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C63H83N13O19S2
Molecular Weight 1390.539
Charge -4
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Indium In-111 is used in specialized diagnostic applications, for example, with indium-111 labelled antibodies. It is useful for labelling blood cell components. Other applications include labelling of platelets for thrombus detection, labelled leukocytes for localization of inflammation and abscesses, as well as leukocyte kinetics. Indium forms a saturated (1:3) complex with oxyquinoline. The complex is neutral and lipidsoluble, which enables it to penetrate the cell membrane. Within the cell, indium becomes firmly attached to cytoplasmic components; the liberated oxyquinoline is released by the cell. It is thought likely that the mechanism of labeling cells with indium In 111 oxyquinoline involves an exchange reaction between the oxyquinoline carrier and subcellular components which chelate indium more strongly than oxyquinoline. Indium In-111 oxyquinoline is indicated for radiolabeling autologous leukocytes. Indium In-111 oxyquinoline labeled leukocytes may be used as an adjunct in the detection of inflammatory processes to which leukocytes migrate, such as those associated with abscesses or other infection, following reinjection and detection by appropriate imaging procedures. The degree of accuracy may vary with labeling techniques and with the size, location and nature of the inflammatory process. Sensitivity reactions (urticaria) have been reported. The presence of fever may mask pyrogenic reactions from indium In 111 oxyquinoline labeled leukocytes. Indium In-111 Chloride is a diagnostic radiopharmaceutical intended for radiolabeling OncoScint (satumomab pendetide) or ProstaScint (capromab pendetide) used for in vivo diagnostic imaging procedures and for radiolabeling Zevalin (ibritumomab tiuxetan) in preparations used for radioimmunotherapy procedures.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Diagnostic
INDIUM IN-111 CHLORIDE

Approved Use

Indium In 111 Chloride Sterile Solution is indicated for radiolabeling OncoScint CR/OV or ProstaScint preparations used for in vivo diagnostic imaging procedures. It is also indicated for radiolabeling Zevalin preparations used for Radioimmunotherapy procedures.

Launch Date

1994

Sample Use Guides

In Vivo Use Guide
Curator's Comment: Imaging is recommended at approximately 24 hours post injection.
The recommended adult (70 kg) dose of indium In 111 oxyquinoline labeled autologous leukocytes is 7.4 to 18.5 MBq, 200-500 µCi. Indium In 111 oxyquinoline solution is intended for the radiolabeling of autologous leukocytes.
Route of Administration: Intravenous
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:22:47 GMT 2023
Edited
by admin
on Fri Dec 15 16:22:47 GMT 2023
Record UNII
M312JJ6Z32
Record Status Validated (UNII)
Record Version
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Related Record Type
Alternative Definition
Name Type Language
INDIUM IN-111 PENTETREOTIDE
Common Name English
PENTETREOTIDE 111IN CHELATE
MI  
Common Name English
INDIUM IN 111 PENTETREOTIDE
USAN  
USAN  
Official Name English
PENTETREOTIDE 111IN CHELATE [MI]
Common Name English
Indium (111 in) pentetreotide [WHO-DD]
Common Name English
INDIUM IN 111 PENTETREOTIDE [USAN]
Common Name English
INDIUM-111 PENTETREOTIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2124
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
WHO-ATC V09IB01
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
WHO-VATC QV09IB01
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
NDF-RT N0000177914
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
FDA ORPHAN DRUG 224706
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
NDF-RT N0000000205
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
Code System Code Type Description
LACTMED
Indium In 111 Pentetreotide
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY
RXCUI
1724429
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY RxNorm
SMS_ID
100000125982
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY
CAS
139096-04-1
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110556
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY
DRUG BANK
DB11835
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY
FDA UNII
M312JJ6Z32
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY
DAILYMED
M312JJ6Z32
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY
MERCK INDEX
m8508
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY Merck Index
PUBCHEM
72127
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY
USAN
HH-17
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY
NCI_THESAURUS
C1672
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY
EVMPD
SUB33035
Created by admin on Fri Dec 15 16:22:47 GMT 2023 , Edited by admin on Fri Dec 15 16:22:47 GMT 2023
PRIMARY
Related Record Type Details
SUB_CONCEPT->SUBSTANCE
Related Record Type Details
ACTIVE MOIETY
ACTIVE MOIETY