METRIZAMIDE

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Trade Names:
Synonyms:
Status: Approved (1978)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: V08AB01
UNII: RHH3W8F1CO

Structure
InChI Key BAQCROVBDNBEEB-KSDLJXBFSA-N
Smile CC(=O)Nc1c(I)c(C(=O)N[C@H]2[C@@H](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

Action Mechanism of Action Reference
None Diagnostic agent
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 2.998

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 31112-62-6
ChEBI 31841
ChEMBL CHEMBL462394
DrugBank DB01578
DrugCentral 1788
EPA CompTox DTXSID1023310
FDA SRS RHH3W8F1CO
Human Metabolome Database HMDB15518
PharmGKB PA164742936
PubChem 443944
SureChEMBL SCHEMBL24382
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