METRIZAMIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC V08AB01
UNII RHH3W8F1CO
EPA CompTox DTXSID1023310

Structure

InChI Key BAQCROVBDNBEEB-UBYUBLNFSA-N
Smiles CC(=O)Nc1c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I
InChI
InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22I3N3O8
Molecular Weight 789.1
AlogP -0.03
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 168.66
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Diagnostic agent None PubMed

Cross References

Resources Reference
ChEBI 31841
ChEMBL CHEMBL462394
DrugCentral 1788
FDA SRS RHH3W8F1CO
Human Metabolome Database HMDB0015518
PharmGKB PA164742936
PubChem 20056604
SureChEMBL SCHEMBL16984723
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