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Details

Stereochemistry ABSOLUTE
Molecular Formula C65H87N14O19S2.In
Molecular Weight 1543.504
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDIUM OXODOTREOTIDE IN-111

SMILES

[111In+3].CC(O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN3CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC3)C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)N[C@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O

InChI

InChIKey=IJBDQDWYJHVYJS-BOWNUUDZSA-K
InChI=1S/C65H90N14O19S2.In/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);/q;+3/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1/i;1-4

HIDE SMILES / InChI

Molecular Formula C65H87N14O19S2
Molecular Weight 1432.599
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 1
Optical Activity UNSPECIFIED

Molecular Formula In
Molecular Weight 110.9051
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 Sat Dec 16 05:11:10 GMT 2023
Edited
by admin
on Sat Dec 16 05:11:10 GMT 2023
Record UNII
8STE3V0I8V
Record Status Validated (UNII)
Record Version
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Name Type Language
INDIUM OXODOTREOTIDE IN-111
Common Name English
IN-111 DOTATATE
Common Name English
DOTATATE INDIUM IN-111
Common Name English
Code System Code Type Description
SMS_ID
100000168555
Created by admin on Sat Dec 16 05:11:10 GMT 2023 , Edited by admin on Sat Dec 16 05:11:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID90225644
Created by admin on Sat Dec 16 05:11:10 GMT 2023 , Edited by admin on Sat Dec 16 05:11:10 GMT 2023
PRIMARY
EVMPD
SUB182021
Created by admin on Sat Dec 16 05:11:10 GMT 2023 , Edited by admin on Sat Dec 16 05:11:10 GMT 2023
PRIMARY
CAS
746665-25-8
Created by admin on Sat Dec 16 05:11:10 GMT 2023 , Edited by admin on Sat Dec 16 05:11:10 GMT 2023
PRIMARY
FDA UNII
8STE3V0I8V
Created by admin on Sat Dec 16 05:11:10 GMT 2023 , Edited by admin on Sat Dec 16 05:11:10 GMT 2023
PRIMARY
PUBCHEM
135390963
Created by admin on Sat Dec 16 05:11:10 GMT 2023 , Edited by admin on Sat Dec 16 05:11:10 GMT 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND
NON-LABELED -> LABELED
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY
ACTIVE MOIETY