Seglitide acetate

Base Information

• Chemical Name: Seglitide acetate
• CAS No.: 99248-33-6
• Molecular Formula: C46H60N8O9
• Molecular Weight: 869.0168
• UNII: URM20C99DG
• DSSTox Substance ID: DTXSID80244001
• Wikidata: Q27291225
• NCI Thesaurus Code: C152318
• ChEMBL ID: CHEMBL2103887

Synonyms:cyclo(MATTLVP);cyclo(N-Me-Ala-Tyr-Trp-Lys-Val-Phe);cyclo(N-methylalanyl-tyrosyl-tryptophyl-lysyl-valyl-phenylalanyl);L 363586;L-363586;MK 678;MK-678;seglitide;seglitide acetate;seglitide monoacetate

Chemical Property of Seglitide acetate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1194.3°C at 760 mmHg
• Flash Point: 676.1°C
• PSA: 282.60000
• LogP: 4.07950
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 868.44832552
• Heavy Atom Count: 63
• Complexity: 1460

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O
• Isomeric SMILES: C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O

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