IOBENGUANE SULFATE I 123

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Synonyms:	Adreview Iobenguane i 123 hemisulfate Iobenguane i-123 hemisulfate Iobenguane, i-123 hemisulfate Iobenguane i 123 hemisulphate Iobenguane i-123 hemisulphate Iobenguane, i-123 hemisulphate Iobenguane sulfate i 123 Iobenguane sulfate i-123 Iobenguane sulphate i 123 Iobenguane sulphate i-123 Iodobenzylguanidine sulfate i 123 Mibg-i-123
Status:	Approved (2008)
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	23X1185WBO

Structure


InChI Key	XNACDNPGABUBFR-FKNPGSCZSA-N
Smile	N=C(N)NCc1cccc([123I])c1.N=C(N)NCc1cccc([123I])c1.O=S(=O)(O)O
InChI	InChI=1S/2C8H10IN3.H2O4S/c29-7-3-1-2-6(4-7)5-12-8(10)11;1-5(2,3)4/h21-4H,5H2,(H4,10,11,12);(H2,1,2,3,4)/i2*9-4;

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H22I2N6O4S
Molecular Weight	640.27
AlogP	1.27
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	61.9
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	12.0

Cross References

Resources	Reference
ChEMBL	CHEMBL3989523
DrugBank	DB09546
FDA SRS	23X1185WBO

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