Parathiazine teoclateProduct ingredient for Parathiazine
- Name
- Parathiazine teoclate
- Drug Entry
- Parathiazine
- Accession Number
- DBSALT003095
- Structure
Structure for Parathiazine teoclate (DBSALT003095)
- Synonyms
- Not Available
- UNII
- 638RNV3D4A
- CAS Number
- 34717-26-5
- Weight
- Average: 511.04
Monoisotopic: 510.160473 - Chemical Formula
- C25H27ClN6O2S
- InChI Key
- YZSKPNOSWJZQRA-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H20N2S.C7H7ClN4O2/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-4,7-10H,5-6,11-14H2;1-2H3,(H,9,10)
- IUPAC Name
- 10-[2-(pyrrolidin-1-yl)ethyl]-10H-phenothiazine; 8-chloro-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
- SMILES
- CN1C2=C(N=C(Cl)N2)C(=O)N(C)C1=O.C(CN1C2=CC=CC=C2SC2=C1C=CC=C2)N1CCCC1
- External Links
- ChemSpider
- 9378090
- Predicted Properties
Property Value Source Water Solubility 9.86 mg/mL ALOGPS logP 0.44 ALOGPS logP 4.28 Chemaxon logS -1.3 ALOGPS pKa (Strongest Basic) 8.65 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 6.48 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 91.63 m3·mol-1 Chemaxon Polarizability 33.69 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon