Technetium Tc 99m 6-(4-thioureabenzyl)-3,3,9,9-tetramethyl-4,8-diazaundecane-phenylalanine(1)-octreotide

Base Information

• Chemical Name: Technetium Tc 99m 6-(4-thioureabenzyl)-3,3,9,9-tetramethyl-4,8-diazaundecane-phenylalanine(1)-octreotide
• CAS No.: 151956-25-1
• Molecular Formula: C70H96 N15 O13 S3 Tc
• Molecular Weight: 0
• Mol file: 151956-25-1.mol

Synonyms:Tc 99m PnAO-SMS;technetium Tc 99m 6-(4-thioureabenzyl)-3,3,9,9-tetramethyl-4,8-diazaundecane-phenylalanine(1)-octreotide

Chemical Property of Technetium Tc 99m 6-(4-thioureabenzyl)-3,3,9,9-tetramethyl-4,8-diazaundecane-phenylalanine(1)-octreotide

Chemical Property:

• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 29
• Exact Mass: 1549.553666
• Heavy Atom Count: 102
• Complexity: 2680

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=S)NC6=CC=C(C=C6)CC(C[N-]C(C)(C)C(=NO)C)C[N-]C(C)(C)C(=N[O-])C)C(=O)NC(CO)C(C)O)O.O=[Tc+3]
• Isomeric SMILES: CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=S)NC6=CC=C(C=C6)CC(C[N-]C(C)(C)/C(=N/O)/C)C[N-]C(C)(C)/C(=N/[O-])/C)C(=O)NC(CO)C(C)O)O.O=[99Tc+3]