IOCETAMIC ACID

Search structure
Trade Names:
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: V08AC07
UNII: FA675Q0E3E

Structure
InChI Key GSVQIUGOUKJHRC-UHFFFAOYSA-N
Smile CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I
InChI
InChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13I3N2O3
Molecular Weight 613.96
AlogP 3.16
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 83.63
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 16034-77-8
ChEBI 91662
ChEMBL CHEMBL1200770
DrugBank DB09403
DrugCentral 1451
EPA CompTox DTXSID2023149
FDA SRS FA675Q0E3E
PubChem 27648
SureChEMBL SCHEMBL38499
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