N-[6-[[(2-Aminoethyl)amino]methyl]-2-pyridinyl]-L-histidyl-N-(2-deoxy-D-glucos-2-C-yl)-L-glutaminyl-N-[4-(9-acridinylamino)phenyl]-Glycinamide
[CAS# 115416-34-7]

Identification

• Name: N-[6-[[(2-Aminoethyl)amino]methyl]-2-pyridinyl]-L-histidyl-N-(2-deoxy-D-glucos-2-C-yl)-L-glutaminyl-N-[4-(9-acridinylamino)phenyl]-Glycinamide
• Synonyms: N-[2-[[4-(Acridin-9-Ylamino)Phenyl]Amino]-2-Oxo-Ethyl]-2-[[2-[[6-[(2-Aminoethylamino)Methyl]-2-Pyridyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-N'-(1-Formyl-2,3,4,5-Tetrahydroxy-Pentyl)Pentanediamide; N-[2-[[4-(9-Acridinylamino)Phenyl]Amino]-2-Oxoethyl]-2-[[2-[[6-[(2-Aminoethylamino)Methyl]-2-Pyridyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-N'-(1-Formyl-2,3,4,5-Tetrahydroxypentyl)Pentanediamide; N-[2-[[4-(Acridin-9-Ylamino)Phenyl]Amino]-2-Keto-Ethyl]-2-[[2-[[6-[(2-Aminoethylamino)Methyl]-2-Pyridyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-N'-(1-Formyl-2,3,4,5-Tetrahydroxy-Pentyl)Glutaramide
• Molecular Formula: C₄₆H₅₄N₁₂O₉
• Molecular Weight: 919.01
• CAS Registry Number: 115416-34-7
• SMILES: C2=C1C(=C3C(=NC1=CC=C2)C=CC=C3)NC6=CC=C(NC(=O)CNC(=O)C(NC(=O)C(NC4=CC=CC(=N4)CNCCN)CC5=CN=C[NH]5)CCC(=O)NC(C(O)C(O)C(O)CO)C=O)C=C6
• InChI: 1S/C46H54N12O9/c47-18-19-48-21-29-6-5-11-39(52-29)56-36(20-30-22-49-26-51-30)46(67)58-35(16-17-40(62)57-37(24-59)43(64)44(65)38(61)25-60)45(66)50-23-41(63)53-27-12-14-28(15-13-27)54-42-31-7-1-3-9-33(31)55-34-10-4-2-8-32(34)42/h1-15,22,24,26,35-38,43-44,48,60-61,64-65H,16-21,23,25,47H2,(H,49,51)(H,50,66)(H,52,56)(H,53,63)(H,54,55)(H,57,62)(H,58,67)
• InChIKey: XMWREJIIPYGZGZ-UHFFFAOYSA-N

Properties

• Density: 1.437g/cm³ (Cal.)
• Boiling point: 1430.816°C at 760 mmHg (Cal.)
• Flash point: 819.128°C (Cal.)