Pentamidine gluconateProduct ingredient for Pentamidine
- Name
- Pentamidine gluconate
- Drug Entry
- Pentamidine
Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of pneumocystis pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.
- Accession Number
- DBSALT002233
- Structure
Structure for Pentamidine gluconate (DBSALT002233)
- Synonyms
- Not Available
- UNII
- B0WU872RIR
- CAS Number
- 123245-08-9
- Weight
- Average: 732.737
Monoisotopic: 732.306531482 - Chemical Formula
- C31H48N4O16
- InChI Key
- JAVCHNFPSHBZAF-UUPCJSQJSA-N
- InChI
- InChI=1S/C19H24N4O2.2C6H12O7/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1
- IUPAC Name
- bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid); 4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide
- SMILES
- OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1
- External Links
- ChemSpider
- 32699142
- Predicted Properties
Property Value Source Water Solubility 0.0236 mg/mL ALOGPS logP 1.32 ALOGPS logP 2.32 Chemaxon logS -4.2 ALOGPS pKa (Strongest Basic) 12.13 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 118.2 Å2 Chemaxon Rotatable Bond Count 20 Chemaxon Refractivity 120.53 m3·mol-1 Chemaxon Polarizability 38.95 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon