Ruboxistaurin mesylateProduct ingredient for Ruboxistaurin
- Name
- Ruboxistaurin mesylate
- Drug Entry
- Ruboxistaurin
Ruboxistaurin has been investigated for the basic science of Type 2 Diabetes Mellitus and Type 1 Diabetes Mellitus.
- Accession Number
- DBSALT002088
- Structure
Structure for Ruboxistaurin mesylate (DBSALT002088)
- Synonyms
- Not Available
- UNII
- 6V860VW8AO
- CAS Number
- 192050-59-2
- Weight
- Average: 564.66
Monoisotopic: 564.20425594 - Chemical Formula
- C29H32N4O6S
- InChI Key
- DUHQBKLTAVUXFF-FERBBOLQSA-N
- InChI
- InChI=1S/C28H28N4O3.CH4O3S/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24;1-5(2,3)4/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34);1H3,(H,2,3,4)/t18-;/m0./s1
- IUPAC Name
- (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.1^{7,14}.0^{2,6}.0^{8,13}.0^{22,27}]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CN(C)C[C@@H]1CCN2C=C(C3=C2C=CC=C3)C2=C(C(=O)NC2=O)C2=CN(CCO1)C1=C2C=CC=C1
- External Links
- ChemSpider
- 9752493
- ChEMBL
- CHEMBL432130
- Predicted Properties
Property Value Source Water Solubility 0.0475 mg/mL ALOGPS logP 3.66 ALOGPS logP 2.98 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 9.76 Chemaxon pKa (Strongest Basic) 8.75 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 68.5 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 135.85 m3·mol-1 Chemaxon Polarizability 51.16 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon