Ruboxistaurin hydrochlorideProduct ingredient for Ruboxistaurin
- Name
- Ruboxistaurin hydrochloride
- Drug Entry
- Ruboxistaurin
Ruboxistaurin has been investigated for the basic science of Type 2 Diabetes Mellitus and Type 1 Diabetes Mellitus.
- Accession Number
- DBSALT002089
- Structure
Structure for Ruboxistaurin hydrochloride (DBSALT002089)
- Synonyms
- Ruboxistaurin HCl
- UNII
- 6496V4OCZN
- CAS Number
- 169939-93-9
- Weight
- Average: 505.02
Monoisotopic: 504.1928185 - Chemical Formula
- C28H29ClN4O3
- InChI Key
- NYQIEYDJYFVLPO-FERBBOLQSA-N
- InChI
- InChI=1S/C28H28N4O3.ClH/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;/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34);1H/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 hydrochloride
- SMILES
- Cl.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
- 8046476
- 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