ORY-1001 dihydrochlorideProduct ingredient for ORY-1001
- Name
- ORY-1001 dihydrochloride
- Drug Entry
- ORY-1001
- Accession Number
- DBSALT003219
- Structure
Structure for ORY-1001 dihydrochloride (DBSALT003219)
- Synonyms
- Iadademstat 2HCl / Iadademstat dihydrochloride / ORY-1001 2HCl
- UNII
- G02YXY861Q
- CAS Number
- 1431326-61-2
- Weight
- Average: 317.3
Monoisotopic: 316.1473042 - Chemical Formula
- C16H26Cl2N2
- InChI Key
- PWIVHEUJEJPRIZ-WCUAUJSVSA-N
- InChI
- InChI=1S/C16H24N2.2ClH/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13;;/h1-5,12,14-16,18H,6-11,17H2;2*1H/t12?,14?,15-,16+;;/m0../s1
- IUPAC Name
- 4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)cyclohexan-1-amine dihydrochloride
- SMILES
- Cl.Cl.NC1CCC(CN[C@@H]2C[C@H]2C2=CC=CC=C2)CC1
- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0115 mg/mL ALOGPS logP 2.47 ALOGPS logP 2.39 Chemaxon logS -4.3 ALOGPS pKa (Strongest Basic) 10.63 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 38.05 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 75.54 m3·mol-1 Chemaxon Polarizability 30.06 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon