Metabolite Finerenone M10 Metabolite
- Name
- Finerenone M10 Metabolite
- Description
- Not Available
- Structure
Structure for Finerenone M10 Metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 410.386
Monoisotopic: 410.122634316 - Chemical Formula
- C20H18N4O6
- InChI Key
- OLVWBIZHVFUUHB-CQSZACIVSA-N
- InChI
- InChI=1S/C20H18N4O6/c1-2-30-19-16-14(10-4-3-9(6-21)5-13(10)26)15(18(22)27)12(8-25)24-17(16)11(7-23-19)20(28)29/h3-5,7,14,24-26H,2,8H2,1H3,(H2,22,27)(H,28,29)/t14-/m1/s1
- IUPAC Name
- (4S)-3-carbamoyl-4-(4-cyano-2-hydroxyphenyl)-5-ethoxy-2-(hydroxymethyl)-1,4-dihydro-1,6-naphthyridine-8-carboxylic acid
- SMILES
- CCOC1=NC=C(C(O)=O)C2=C1[C@H](C1=CC=C(C=C1O)C#N)C(C(N)=O)=C(CO)N2
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 199.38118 predictedDeepCCS 1.0 (2019) [M+H]+ 201.77675 predictedDeepCCS 1.0 (2019) [M+Na]+ 207.68929 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.127 mg/mL ALOGPS logP 0.91 ALOGPS logP -1.2 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 2.18 Chemaxon pKa (Strongest Basic) 6.57 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 178.79 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 108.41 m3·mol-1 Chemaxon Polarizability 40.08 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