PEMIROLAST POTASSIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 497A17OUUE
EPA CompTox DTXSID7046623
Parent Compound: PEMIROLAST

Structure

InChI Key NMMVKSMGBDRONO-UHFFFAOYSA-N
Smiles Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+]
InChI
InChI=1S/C10H7N6O.K/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8;/h2-5H,1H3;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7KN6O
Molecular Weight 266.31
AlogP 0.18
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 88.83
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEMBL CHEMBL1201050
FDA SRS 497A17OUUE
PubChem 443866
SureChEMBL SCHEMBL865789
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