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Details

Stereochemistry ACHIRAL
Molecular Formula 2C8H10IN3.H2O4S
Molecular Weight 656.261
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IOBENGUANE SULFATE I-131

SMILES

OS(O)(=O)=O.NC(=N)NCC1=CC=CC([131I])=C1.NC(=N)NCC2=CC=CC([131I])=C2

InChI

InChIKey=XNACDNPGABUBFR-GNPGNDBSSA-N
InChI=1S/2C8H10IN3.H2O4S/c2*9-7-3-1-2-6(4-7)5-12-8(10)11;1-5(2,3)4/h2*1-4H,5H2,(H4,10,11,12);(H2,1,2,3,4)/i2*9+4;

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H10IN3
Molecular Weight 279.0912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Iobenguane I-131 is a radioactive therapeutic agent. The drug contains radioactive isotope I-131, which decays by electron emission with a half-life of about 8 days. By the chemical structure, iobenguane is similar to the neurotransmitter norepinephrine and is subject to the same uptake and regulation pathways. After intravenous administration, iobenguane I-131 accumulates within pheochromocytoma and paraganglioma cells, and radiation from the radioactive decay causes cell death and tumor necrosis. Iobenguane I-131 was approved by the FDA for the treatment of adult and pediatric patients with iobenguane scan positive, unresectable, locally advanced or metastatic pheochromocytoma or paraganglioma who require systemic anticancer therapy. Iobenguane I-131 is investigated in clinical trials as a treatment of neuroblastoma, ganglioneuroblastoma and other tumors of neuroendocrinal origin.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Diagnostic
IOBENGUANE SULFATE I 131

Approved Use

Iobenguane sulfate I 131 Injection is indicated as an adjunctive diagnostic agent in the localization of primary or metastatic pheochromocytomas and neuroblastomas.

Launch Date

7.6446722E11
PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:15:59 UTC 2023
Edited
by admin
on Fri Dec 15 15:15:59 UTC 2023
Record UNII
M575VKV19N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IOBENGUANE SULFATE I-131
ORANGE BOOK  
Common Name English
GUANIDINE, ((3-(IODO-(SUP 131)I)PHENYL)METHYL)-, SULFATE (2:1)
Common Name English
IOBENGUANE SULFATE I 131 [USAN]
Common Name English
131I-META-IODOBENZYL-GUANIDINE SULFATE
Common Name English
IOBENGUANE SULFATE I 131
USAN   WHO-DD  
USAN  
Official Name English
(M-((SUP 131)I)IODOBENZYL)GUANIDINE SULPHATE (2:1)
Common Name English
Iobenguane sulfate I 131 [WHO-DD]
Common Name English
(M-((SUP 131)I)IODOBENZYL)GUANIDINE SULFATE (2:1)
Common Name English
GUANIDINE, ((3-(IODO-(SUP 131)I)PHENYL)METHYL)-, SULPHATE (2:1)
Common Name English
IOBENGUANE SULFATE I-131 [ORANGE BOOK]
Common Name English
IOBENGUANE SULPHATE I-131
Common Name English
IOBENGUANE SULPHATE I 131
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2124
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
FDA ORPHAN DRUG 2284
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C47565
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
PRIMARY
CAS
123791-27-5
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
NON-SPECIFIC STOICHIOMETRY
SMS_ID
100000127648
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
PRIMARY
PUBCHEM
76971242
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID901027307
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
PRIMARY
EVMPD
SUB121496
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
PRIMARY
USAN
II-83
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
PRIMARY
EVMPD
SUB33707
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
PRIMARY
ChEMBL
CHEMBL818
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
PRIMARY
CAS
149210-33-3
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
PRIMARY
DRUG BANK
DBSALT002471
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
PRIMARY
FDA UNII
M575VKV19N
Created by admin on Fri Dec 15 15:15:59 UTC 2023 , Edited by admin on Fri Dec 15 15:15:59 UTC 2023
PRIMARY
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