Ibutamoren mesylateProduct ingredient for Ibutamoren
- Name
- Ibutamoren mesylate
- Drug Entry
- Ibutamoren
- Accession Number
- DBSALT003431
- Structure
Structure for Ibutamoren mesylate (DBSALT003431)
- Synonyms
- 2-AMINO-N-((R)-2-(BENZYLOXY)-1-((1-(METHYLSULFONYL)SPIRO(INDOLINE-3,4'-PIPERIDIN)-1'-YL)CARBONYL)ETHYL)-2-METHYLPROPIONAMIDE MONOMETHANESULFONATE / 2-AMINO-N-((R)-2-(BENZYLOXY)-1-((1-(METHYLSULPHONYL)SPIRO(INDOLINE-3,4'-PIPERIDIN)-1'-YL)CARBONYL)ETHYL)-2-METHYLPROPIONAMIDE MONOMETHANESULPHONATE / 2-AMINO-N-(2-(1,2-DIHYDRO-1-(METHYLSULFONYL)SPIRO(3H-INDOLE-3,4'-PIPERIDIN)-1'-YL)-2-OXO-1-((PHENYLMETHOXY)METHYL)ETHYL)-2-METHYLPROPANAMIDE MESILATE -L / 2-AMINO-N-(2-(1,2-DIHYDRO-1-(METHYLSULFONYL)SPIRO(3H-INDOLE-3,4'-PIPERIDIN)-1'-YL)-2-OXO-1-((PHENYLMETHOXY)METHYL)ETHYL)-2-METHYLPROPANAMIDE MESYLATE -L / IBUTAMOREN MESILATE
- External IDs
- MK 0677 / MK 677 / MK-0677 / MK-677 / MK0677 / MK677
- UNII
- R90JB6QJ2B
- CAS Number
- 159752-10-0
- Weight
- Average: 624.77
Monoisotopic: 624.228756612 - Chemical Formula
- C28H40N4O8S2
- InChI Key
- DUGMCDWNXXFHDE-VZYDHVRKSA-N
- InChI
- InChI=1S/C27H36N4O5S.CH4O3S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27;1-5(2,3)4/h4-12,22H,13-19,28H2,1-3H3,(H,29,33);1H3,(H,2,3,4)/t22-;/m1./s1
- IUPAC Name
- 2-amino-N-[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-dihydrospiro[indole-3,4'-piperidin]-1'-yl}-1-oxopropan-2-yl]-2-methylpropanamide; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CC(C)(N)C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N1CCC2(CN(C3=C2C=CC=C3)S(C)(=O)=O)CC1
- External Links
- ChemSpider
- 4953379
- ChEMBL
- CHEMBL2105872
- Predicted Properties
Property Value Source logP 0.68 Chemaxon pKa (Strongest Acidic) 11.89 Chemaxon pKa (Strongest Basic) 8.34 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 122.04 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 141.39 m3·mol-1 Chemaxon Polarizability 56.61 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