Pafuramidine maleateProduct ingredient for Pafuramidine
- Name
- Pafuramidine maleate
- Drug Entry
- Pafuramidine
Pafuramidine, a prodrug of furamidine, currently has orphan status for Pneumocystis jiroveci pneumonia.
- Accession Number
- DBSALT002024
- Structure
- Synonyms
- Pafuramidine maleate
- External IDs
- DB-289 / DB289
- UNII
- K27F04K3A9
- CAS Number
- 837369-26-3
- Weight
- Average: 480.477
Monoisotopic: 480.164499129 - Chemical Formula
- C24H24N4O7
- InChI Key
- SWMNGXODFOCPKQ-BTJKTKAUSA-N
- InChI
- InChI=1S/C20H20N4O3.C4H4O4/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2;5-3(6)1-2-4(7)8/h3-12H,1-2H3,(H2,21,23)(H2,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1-
- IUPAC Name
- (2Z)-but-2-enedioic acid; N-methoxy-4-{5-[4-(N-methoxycarbamimidoyl)phenyl]furan-2-yl}benzene-1-carboximidamide
- SMILES
- OC(=O)\C=C/C(O)=O.CONC(=N)C1=CC=C(C=C1)C1=CC=C(O1)C1=CC=C(C=C1)C(=N)NOC
- External Links
- ChemSpider
- 9866222
- ChEMBL
- CHEMBL2107359
- PharmGKB
- PA166122486
- Wikipedia
- Pafuramidine
- Predicted Properties
Property Value Source Water Solubility 0.0663 mg/mL ALOGPS logP 2.65 ALOGPS logP 2.97 Chemaxon logS -3.7 ALOGPS pKa (Strongest Basic) 8.83 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 103.36 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 145.42 m3·mol-1 Chemaxon Polarizability 40.58 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon