Otamixaban HydrochlorideProduct ingredient for Otamixaban
- Name
- Otamixaban Hydrochloride
- Drug Entry
- Otamixaban
Otamixaban is a novel direct Factor Xa (FXa) inhibitor. It is currently being developed by the French pharmaceutical company Sanofi-Aventis as a treatment for acute coronary syndrome.
- Accession Number
- DBSALT002029
- Structure
Structure for Otamixaban Hydrochloride (DBSALT002029)
- Synonyms
- Not Available
- UNII
- WL9J31M2HI
- CAS Number
- 409081-12-5
- Weight
- Average: 482.97
Monoisotopic: 482.1720831 - Chemical Formula
- C25H27ClN4O4
- InChI Key
- ROKCPUOLRIBSQQ-BYYQELCVSA-N
- InChI
- InChI=1S/C25H26N4O4.ClH/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19;/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30);1H/t16-,22-;/m1./s1
- IUPAC Name
- 4-(4-{[(2R,3R)-3-[(3-carbamimidoylphenyl)methyl]-4-methoxy-4-oxobutan-2-yl]carbamoyl}phenyl)pyridin-1-ium-1-olate hydrochloride
- SMILES
- Cl.COC(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)[C@@H](C)NC(=O)C1=CC=C(C=C1)C1=CC=[N+]([O-])C=C1
- External Links
- ChemSpider
- 29212156
- Predicted Properties
Property Value Source Water Solubility 0.00202 mg/mL ALOGPS logP 2.12 ALOGPS logP 1.54 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 15.03 Chemaxon pKa (Strongest Basic) 11.46 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 132.21 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 137.24 m3·mol-1 Chemaxon Polarizability 48.4 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon