Anamorelin HydrochlorideProduct ingredient for Anamorelin
- Name
- Anamorelin Hydrochloride
- Drug Entry
- Anamorelin
- Accession Number
- DBSALT002031
- Structure
- Synonyms
- Not Available
- UNII
- 55F75LJQ0V
- CAS Number
- 861998-00-7
- Weight
- Average: 583.17
Monoisotopic: 582.308517 - Chemical Formula
- C31H43ClN6O3
- InChI Key
- VFYAEUWJFGTGGO-GHTUPXNNSA-N
- InChI
- InChI=1S/C31H42N6O3.ClH/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22;/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39);1H/t26-,31-;/m1./s1
- IUPAC Name
- 2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-(N,N',N'-trimethylhydrazinecarbonyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide hydrochloride
- SMILES
- Cl.CN(C)N(C)C(=O)[C@@]1(CC2=CC=CC=C2)CCCN(C1)C(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)C(C)(C)N
- External Links
- ChemSpider
- 17231641
- ChEMBL
- CHEMBL2103794
- Predicted Properties
Property Value Source Water Solubility 0.0103 mg/mL ALOGPS logP 2.86 ALOGPS logP 2.36 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 12.7 Chemaxon pKa (Strongest Basic) 8.34 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 114.77 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 157.07 m3·mol-1 Chemaxon Polarizability 61.1 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon