TRIMETHOPRIM SULFATE

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Synonyms
Status
Molecule Category Salt-form
UNII E377MF8EQ8
EPA CompTox DTXSID40205138

Structure

InChI Key UILMMYFRNCCPLK-UHFFFAOYSA-N
Smiles COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.O=S(=O)(O)O
InChI
InChI=1S/2C14H18N4O3.H2O4S/c2*1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-5(2,3)4/h2*5-7H,4H2,1-3H3,(H4,15,16,17,18);(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H38N8O10S
Molecular Weight 678.73
AlogP 1.26
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 105.51
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Bacterial dihydrofolate reductase inhibitor INHIBITOR DailyMed

Cross References

Resources Reference
ChEMBL CHEMBL2110367
FDA SRS E377MF8EQ8
PubChem 64936
CONTENTS