Nafronyl oxalateProduct ingredient for Naftidrofuryl
- Name
- Nafronyl oxalate
- Drug Entry
- Naftidrofuryl
- Accession Number
- DBSALT002964
- Structure
- Synonyms
- Nafronyl oxalate / Naftidrofuryl hydrogen oxalate / Naftidrofuryl oxalate / Naphtidrofuryl oxalate
- External IDs
- EU-1806 / LS 121 / LS-121
- UNII
- 5ADB8D9388
- CAS Number
- 3200-06-4
- Weight
- Average: 473.566
Monoisotopic: 473.241352471 - Chemical Formula
- C26H35NO7
- InChI Key
- SSAJNPNVUYMUCI-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H33NO3.C2H2O4/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20;3-1(4)2(5)6/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3;(H,3,4)(H,5,6)
- IUPAC Name
- diethyl(2-{[3-(naphthalen-1-yl)-2-[(oxolan-2-yl)methyl]propanoyl]oxy}ethyl)azanium hydrogen oxalate
- SMILES
- OC(=O)C([O-])=O.CC[NH+](CC)CCOC(=O)C(CC1CCCO1)CC1=CC=CC2=C1C=CC=C2
- External Links
- ChemSpider
- 17512
- ChEMBL
- CHEMBL1439099
- Predicted Properties
Property Value Source Water Solubility 0.000164 mg/mL ALOGPS logP 1.98 ALOGPS logP 4.58 Chemaxon logS -6.5 ALOGPS pKa (Strongest Basic) 8.96 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 39.97 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 124.79 m3·mol-1 Chemaxon Polarizability 44.82 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon