Metabolite N4-acetyl-5'-hydroxysulfapyridine-O-glucuronide
- Name
- N4-acetyl-5'-hydroxysulfapyridine-O-glucuronide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 471.44
Monoisotopic: 471.094765062 - Chemical Formula
- C18H21N3O10S
- InChI Key
- SMMSFAJZMQEKPN-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H21N3O10S/c1-21(27)9-2-5-11(6-3-9)32(28,29)20-12-7-4-10(8-19-12)30-18-15(24)13(22)14(23)16(31-18)17(25)26/h2-8,13-16,18,21-24H,1H3,(H,19,20)(H,25,26)
- IUPAC Name
- 3,4,5-trihydroxy-6-({6-[4-(methylnitroso)benzenesulfonamido]pyridin-3-yl}oxy)oxane-2-carboxylic acid
- SMILES
- CN(=O)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=N1
- Reactions
- Sulfasalazine Mesalazine and Sulfapyridine
- Mesalazine N-acetyl-5-ASA (Ac-5-ASA)
- Sulfapyridine N4-acetylsulfapyridine
- N4-acetylsulfapyridine N4-acetyl-5'-hydroxysulfapyridine
- N4-acetyl-5'-hydroxysulfapyridine N4-acetyl-5'-hydroxysulfapyridine-O-glucuronide
- N4-acetylsulfapyridine N4-acetyl-5'-hydroxysulfapyridine
- Sulfapyridine 5'-hydroxysulfapyridine
- 5'-hydroxysulfapyridine N4-acetyl-5'-hydroxysulfapyridine
- N4-acetyl-5'-hydroxysulfapyridine N4-acetyl-5'-hydroxysulfapyridine-O-glucuronide
- 5'-hydroxysulfapyridine 5'-hydroxysulfapyridine-O-glucuronide
- 5'-hydroxysulfapyridine-O-glucuronide N4-acetyl-5'-hydroxysulfapyridine-O-glucuronide
- 5'-hydroxysulfapyridine N4-acetyl-5'-hydroxysulfapyridine
- Sulfasalazine Mesalazine and Sulfapyridine
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 3.82 mg/mL ALOGPS logP 1.25 ALOGPS logP -6.5 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 2.9 Chemaxon pKa (Strongest Basic) 4.63 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 216.05 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 115.51 m3·mol-1 Chemaxon Polarizability 44.48 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