Mebhydrolin napadisylateProduct ingredient for Mebhydrolin
- Name
- Mebhydrolin napadisylate
- Drug Entry
- Mebhydrolin
- Accession Number
- DBSALT003096
- Structure
Structure for Mebhydrolin napadisylate (DBSALT003096)
- Synonyms
- Diazoline / Mebhydrolin napadisilate
- External IDs
- 228-170-3
- UNII
- O5G04RB25M
- CAS Number
- 6153-33-9
- Weight
- Average: 841.05
Monoisotopic: 840.30152763 - Chemical Formula
- C48H48N4O6S2
- InChI Key
- CJUOSBUQOWKEKJ-UHFFFAOYSA-N
- InChI
- InChI=1S/2C19H20N2.C10H8O6S2/c2*1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*2-10H,11-14H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)
- IUPAC Name
- bis(5-benzyl-2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole); naphthalene-1,5-disulfonic acid
- SMILES
- OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O.CN1CCC2=C(C1)C1=C(C=CC=C1)N2CC1=CC=CC=C1.CN1CCC2=C(C1)C1=C(C=CC=C1)N2CC1=CC=CC=C1
- External Links
- KEGG Compound
- C13254
- ChemSpider
- 21128
- ChEBI
- 31803
- ChEMBL
- CHEMBL1324326
- Predicted Properties
Property Value Source Water Solubility 0.0367 mg/mL ALOGPS logP 3.69 ALOGPS logP 3.69 Chemaxon logS -3.9 ALOGPS pKa (Strongest Basic) 7.17 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 8.17 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 88.49 m3·mol-1 Chemaxon Polarizability 32.17 Å3 Chemaxon Number of Rings 10 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon