Elamipretide hydrochlorideProduct ingredient for Elamipretide
- Name
- Elamipretide hydrochloride
- Drug Entry
- Elamipretide
Elamipretide has been used in trials studying the treatment of Leber's Hereditary Optic Neuropathy.
- Accession Number
- DBSALT003412
- Structure
Structure for Elamipretide hydrochloride (DBSALT003412)
- Synonyms
- Elamipretide 3HCl / Elamipretide HCl / Elamipretide trihydrochloride
- UNII
- E40WZ3BK2D
- CAS Number
- 2244098-12-0
- Weight
- Average: 749.18
Monoisotopic: 747.3156989 - Chemical Formula
- C32H52Cl3N9O5
- InChI Key
- NGOPFUMILSNWHH-QTSNMJAOSA-N
- InChI
- InChI=1S/C32H49N9O5.3ClH/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21;;;/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38);3*1H/t24-,25+,26+,27+;;;/m1.../s1
- IUPAC Name
- (2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-3-(4-hydroxy-2,6-dimethylphenyl)propanamido]-N-[(1S)-1-carbamoyl-2-phenylethyl]hexanamide trihydrochloride
- SMILES
- Cl.Cl.Cl.CC1=CC(O)=CC(C)=C1C[C@H](NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
- External Links
- ChemSpider
- 81367994
- ChEMBL
- CHEMBL4298161
- Predicted Properties
Property Value Source logP -0.66 Chemaxon pKa (Strongest Acidic) 9.61 Chemaxon pKa (Strongest Basic) 11.32 Chemaxon Physiological Charge 3 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 9 Chemaxon Polar Surface Area 267.06 Å2 Chemaxon Rotatable Bond Count 19 Chemaxon Refractivity 175.96 m3·mol-1 Chemaxon Polarizability 69.87 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon