5-Amino-N,N'-bis[2,3-bis(acetyloxy)propyl]-2,4,6-triiodo-N-methyl-1,3-benzenedicarboxamide

Base Information

• Chemical Name: 5-Amino-N,N'-bis[2,3-bis(acetyloxy)propyl]-2,4,6-triiodo-N-methyl-1,3-benzenedicarboxamide
• CAS No.: 76350-09-9
• Molecular Formula: C23H28I3N3O10
• Molecular Weight: 887.19593
• DSSTox Substance ID: DTXSID00700735
• Mol file: 76350-09-9.mol

Synonyms:76350-09-9;5-AMINO-N,N'-BIS[2,3-BIS(ACETYLOXY)PROPYL]-2,4,6-TRIIODO-N-METHYL-1,3-BENZENEDICARBOXAMIDE;[2-acetyloxy-3-[[3-amino-5-[2,3-diacetyloxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]propyl] acetate;SCHEMBL12871740;DTXSID00700735;HEHGJKXXZCQSIS-UHFFFAOYSA-N;CS-T-02014;5-Amino-N1,N3-bis[2,3-bis(acetyloxy)propyl]-2,4,6-triiodo-N1-methyl-1,3-benzenedicarboxamide;FT-0661613;F81331;3-[(3-Amino-5-{[2,3-bis(acetyloxy)propyl]carbamoyl}-2,4,6-triiodobenzoyl)(methyl)amino]propane-1,2-diyl diacetate

Chemical Property of 5-Amino-N,N'-bis[2,3-bis(acetyloxy)propyl]-2,4,6-triiodo-N-methyl-1,3-benzenedicarboxamide

Chemical Property:

• PSA: 184.12000
• LogP: 3.03000
• Solubility.: Methanol
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 16
• Exact Mass: 886.8909
• Heavy Atom Count: 39
• Complexity: 924

Purity/Quality:

98% ^*data from raw suppliers

5-Amino-N,N’-bis[2,3-bis(acetyloxy)propyl]-2,4,6-triiodo-N-methyl-1,3-benzenedicarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)OC(=O)C