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
ChemSpider
17231641
ChEMBL
CHEMBL2103794
Predicted Properties
PropertyValueSource
Water Solubility0.0103 mg/mLALOGPS
logP2.86ALOGPS
logP2.36Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)12.7Chemaxon
pKa (Strongest Basic)8.34Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area114.77 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity157.07 m3·mol-1Chemaxon
Polarizability61.1 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon