Dota-noc

Base Information

• Chemical Name: Dota-noc
• CAS No.: 619300-53-7
• Molecular Formula: C69H94N14O17S2
• Molecular Weight: 1455.7
• UNII: 1IIY9GZY9U
• ChEMBL ID: CHEMBL4297373
• Nikkaji Number: J3.079.424I
• Mol file: 619300-53-7.mol

Synonyms:Dotanoc;DOTA-NOC;DOTA-nal3-octreotide;1IIY9GZY9U;619300-53-7;UNII-1IIY9GZY9U;L-Cysteinamide, N-(2-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl)acetyl)-D-phenylalanyl-L-cysteinyl-3-(1-naphthalenyl)-L-alanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2->7)-disulfide;CHEMBL4297373;HY-P2112;CS-0108508

Chemical Property of Dota-noc

Chemical Property:

• XLogP3: -5.6
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 26
• Exact Mass: 1454.63627993
• Heavy Atom Count: 102
• Complexity: 2730

Purity/Quality:

99% ^*data from raw suppliers

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=CC5=CC=CC=C54)NC(=O)C(CC6=CC=CC=C6)NC(=O)CN7CCN(CCN(CCN(CC7)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(CO)C(C)O)O
• Isomeric SMILES: C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54)NC(=O)[C@@H](CC6=CC=CC=C6)NC(=O)CN7CCN(CCN(CCN(CC7)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@H](CO)[C@@H](C)O)O
• Recent ClinicalTrials: Imaging of Active Granulomas With [18F]FDG and Selected Inflammatory PET Tracers in Pulmonary Sarcoidosis
• Recent EU Clinical Trials: Imaging of active granulomas with [18F]FDG and selected inflammatory PET tracers in pulmonary sarcoidosis