Metabolite Olanzapine 10-N-glucuronide
- Name
- Olanzapine 10-N-glucuronide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- A432W914YR
- CAS number
- Not Available
- Weight
- Average: 488.56
Monoisotopic: 488.172955812 - Chemical Formula
- C23H28N4O6S
- InChI Key
- GAMKTHIOQWRUNL-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H28N4O6S/c1-12-11-13-20(26-9-7-25(2)8-10-26)24-14-5-3-4-6-15(14)27(22(13)34-12)21-18(30)16(28)17(29)19(33-21)23(31)32/h3-6,11,16-19,21,28-30H,7-10H2,1-2H3,(H,31,32)
- IUPAC Name
- 3,4,5-trihydroxy-6-[5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),5,8,10,12-hexaen-2-yl]oxane-2-carboxylic acid
- SMILES
- CN1CCN(CC1)C1=NC2=CC=CC=C2N(C2OC(C(O)C(O)C2O)C(O)=O)C2=C1C=C(C)S2
- Reactions
- Olanzapine Olanzapine 10-N-glucuronide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 204.27715 predictedDeepCCS 1.0 (2019) [M+H]+ 206.67273 predictedDeepCCS 1.0 (2019) [M+Na]+ 212.76083 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 22378579
- Predicted Properties
Property Value Source Water Solubility 0.296 mg/mL ALOGPS logP 0.6 ALOGPS logP -1.2 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 3.15 Chemaxon pKa (Strongest Basic) 7.23 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 129.3 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 126.3 m3·mol-1 Chemaxon Polarizability 50.43 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon