Mebhydrolin napadisylateProduct ingredient for Mebhydrolin

Name
Mebhydrolin napadisylate
Drug Entry
Mebhydrolin
Accession Number
DBSALT003096
Structure
Thumb
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
KEGG Compound
C13254
ChemSpider
21128
ChEBI
31803
ChEMBL
CHEMBL1324326
Predicted Properties
PropertyValueSource
Water Solubility0.0367 mg/mLALOGPS
logP3.69ALOGPS
logP3.69ChemAxon
logS-3.9ALOGPS
pKa (Strongest Basic)7.17ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area8.17 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity88.49 m3·mol-1ChemAxon
Polarizability32.17 Å3ChemAxon
Number of Rings10ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon