TRIMETHOPRIM SULFATE

Search structure
Synonyms:
Status: Approved (1988)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: E377MF8EQ8

Structure
InChI Key UILMMYFRNCCPLK-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Bacterial dihydrofolate reductase inhibitor DailyMed

Cross References

Resources Reference
ChEMBL CHEMBL2110367
EPA CompTox DTXSID40205138
FDA SRS E377MF8EQ8
PubChem 64936
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