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
ChemSpider
17512
ChEMBL
CHEMBL1439099
Predicted Properties
PropertyValueSource
Water Solubility0.000164 mg/mLALOGPS
logP1.98ALOGPS
logP4.58Chemaxon
logS-6.5ALOGPS
pKa (Strongest Basic)8.96Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area39.97 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity124.79 m3·mol-1Chemaxon
Polarizability44.82 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon