Alarelin

Base Information

• Chemical Name: Alarelin
• CAS No.: 79561-22-1
• Deprecated CAS: 102586-08-3,253310-55-3,53818-13-6,56136-33-5,67910-55-8,94699-40-8
• Molecular Formula: C56H78N16O12
• Molecular Weight: 1167.33
• European Community (EC) Number: 635-974-1,688-471-4
• UNII: NJS328SUA7
• DSSTox Substance ID: DTXSID40873497
• Nikkaji Number: J303.647B
• ChEMBL ID: CHEMBL3272561
• Mol file: 79561-22-1.mol

Synonyms:ALARELIN;ALARELIN ACETATE;79561-22-1;Dalareline;Dalarelin;LHRH-A2;52435-06-0;C56H78N16O12;NJS328SUA7;C56-H78-N16-O12;LH-RHa;C56H78N16O12.2C2H4O2;ALARELIN [WHO-DD];GTPL9342;C56-H78-N16-O12.2C2-H4-O2;CHEMBL3272561;SCHEMBL11315269;DTXSID40873497;TAP-127;AMY25366;HY-P0048;AKOS030213241;AKOS030260542;CCG-270649;NCGC00485985-01;AY-25205;WY-18481;CS-0015083;Glp-His-Trp-Ser-Tyr-D-Ala-Leu-Arg-Pro-NHEt;L-4513;A839717

Chemical Property of Alarelin

Chemical Property:

• Appearance/Colour: white powder
• PSA: 466.34000
• Density: 1.482 g/cm³
• LogP: 2.42110
• Storage Temp.: −20°C
• Solubility.: ≥128.7 mg/mL in DMSO; ≥128.6 mg/mL in EtOH; ≥128.8 mg/mL in H2O
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 30
• Exact Mass: 1166.59851199
• Heavy Atom Count: 84
• Complexity: 2320

Purity/Quality:

Greater than 98.0% ^*data from raw suppliers

AlarelinAcetate 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 60
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6
• Isomeric SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6