Istaroxime hydrochlorideProduct ingredient for Istaroxime
- Name
- Istaroxime hydrochloride
- Drug Entry
- Istaroxime
- Accession Number
- DBSALT001993
- Structure
- Synonyms
- Istaroxime HCl
- UNII
- R9SOU1JG5F
- CAS Number
- 374559-48-5
- Weight
- Average: 396.96
Monoisotopic: 396.2179706 - Chemical Formula
- C21H33ClN2O3
- InChI Key
- AXHJYJDJXNOGNI-ROJIRLEOSA-N
- InChI
- InChI=1S/C21H32N2O3.ClH/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20;/h14-17H,3-12,22H2,1-2H3;1H/b23-13+;/t14-,15-,16-,17+,20+,21-;/m0./s1
- IUPAC Name
- (3aS,3bR,5aS,7E,9aR,9bS,11aS)-7-[(2-aminoethoxy)imino]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,5-dione hydrochloride
- SMILES
- Cl.C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C\C(CC[C@]34C)=N\OCCN)[C@@H]1CCC2=O
- External Links
- ChemSpider
- 35308283
- Predicted Properties
Property Value Source Water Solubility 0.0174 mg/mL ALOGPS logP 2.4 ALOGPS logP 2.64 Chemaxon logS -4.3 ALOGPS pKa (Strongest Basic) 8.84 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 81.75 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 99.7 m3·mol-1 Chemaxon Polarizability 41.8 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon