IOBENGUANE SULFATE I 131

Search structure
Synonyms:
Status: Approved (1994)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: M575VKV19N

Structure
InChI Key XNACDNPGABUBFR-GNPGNDBSSA-N
Smile N=C(N)NCc1cccc([131I])c1.N=C(N)NCc1cccc([131I])c1.O=S(=O)(O)O
InChI
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;

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H22I2N6O4S
Molecular Weight 656.27
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 CHEMBL3989511
FDA SRS M575VKV19N
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