Metabolite Furosemide glucuronide
- Name
- Furosemide glucuronide
- Description
- Not Available
- Structure
Structure for Furosemide glucuronide
- Synonyms
- Not Available
- UNII
- B6C1SX3FIJ
- CAS number
- Not Available
- Weight
- Average: 537.9
Monoisotopic: 537.058198 - Chemical Formula
- C19H22ClN2O12S
- InChI Key
- LNPFGFWRTQYAHM-JKPQCYAASA-N
- InChI
- InChI=1S/C19H22ClN2O12S/c20-10-5-11(22-6-8-2-1-3-32-8)9(4-12(10)35(21,30)31)18(28)33-7-34-16(17(26)27)14(24)13(23)15(25)19(34)29/h1-5,13-16,19,22-25,29H,6-7H2,(H,26,27)(H2,21,30,31)/t13-,14-,15+,16-,19?/m0/s1
- IUPAC Name
- (2S,3S,4S,5R)-1-[(4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoyloxy)methyl]-3,4,5,6-tetrahydroxy-1lambda3-oxane-2-carboxylic acid
- SMILES
- NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(=O)OC[O]1C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 203.81331 predictedDeepCCS 1.0 (2019) [M+H]+ 205.70871 predictedDeepCCS 1.0 (2019) [M+Na]+ 211.97475 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.834 mg/mL ALOGPS logP 0.68 ALOGPS logS -2.8 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 243.44 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 128.07 m3·mol-1 Chemaxon Polarizability 49.14 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon