Ebiratide

Base Information

• Chemical Name: Ebiratide
• CAS No.: 105250-86-0
• Molecular Formula: C48H73 N11 O10 S
• Molecular Weight: 996.2259
• UNII: CM5J1V7AUT
• DSSTox Substance ID: DTXSID60883159
• Nikkaji Number: J369.918H
• Wikidata: Q27275529
• NCI Thesaurus Code: C77384
• Mol file: 105250-86-0.mol

Synonyms:ebiratide;Hoe 427;Hoe-427;L-Methionyl-L-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-N-(8-aminooctyl)-L-phenylalaninamide S,S-dioxide;Met-O2-Glu-His-Phe-D-Lys-Phe-NH-(CH2)8-NH2

Chemical Property of Ebiratide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1406.3°Cat760mmHg
• Flash Point: 804.3°C
• PSA: 361.16000
• Density: 1.258g/cm³
• LogP: 5.56000
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 35
• Exact Mass: 995.52625874
• Heavy Atom Count: 70
• Complexity: 1730

Purity/Quality:

EBIRATIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)CCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NC(CC3=CC=CC=C3)C(=O)NCCCCCCCCN)N
• Isomeric SMILES: CS(=O)(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCCCCCCCCN)N