N-[1-[[3,6-Bis(3,5-Dihydroxyphenyl)-9-(Hydroxymethyl)-16-Methyl-2,5,8,11,14-Pentaoxo-12-(Phenylmethyl)-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-5-Chloro-1H-Pyrrole-2-Carboxamide
[CAS# 146874-41-1]

Identification

• Name: N-[1-[[3,6-Bis(3,5-Dihydroxyphenyl)-9-(Hydroxymethyl)-16-Methyl-2,5,8,11,14-Pentaoxo-12-(Phenylmethyl)-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-5-Chloro-1H-Pyrrole-2-Carboxamide
• Synonyms: N-[2-[[3,6-Bis(3,5-Dihydroxyphenyl)-9-(Hydroxymethyl)-16-Methyl-2,5,8,11,14-Pentaoxo-12-(Phenylmethyl)-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Chloro-1H-Pyrrole-2-Carboxamide; N-[1-(Benzyl)-2-[[12-(Benzyl)-3,6-Bis(3,5-Dihydroxyphenyl)-2,5,8,11,14-Pentaketo-16-Methyl-9-Methylol-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-2-Keto-Ethyl]-5-Chloro-1H-Pyrrole-2-Carboxamide; N-[1-[[3,6-Bis(3,5-Dihydroxyphenyl)-9-(Hydroxymethyl)-16-Methyl-2,5,8,11,14-Pentaoxo-12-(Phenylmethyl)-1-Oxa-4,7,10,13-Tetrazacyclohexadec-15-Yl]Amino]-1-Oxo-3-Phenyl-Propan-2-Yl]-5-Chloro-1H-Pyrrole-2-Carboxamide
• Molecular Formula: C₄₆H₄₆ClN₇O₁₃
• Molecular Weight: 940.36
• CAS Registry Number: 146874-41-1
• SMILES: C6=C(C3NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1=CC=C(Cl)[NH]1)CC2=CC=CC=C2)C(OC3=O)C)CC4=CC=CC=C4)CO)C5=CC(=CC(=C5)O)O)C=C(O)C=C6O
• InChI: 1S/C46H46ClN7O13/c1-23-37(52-42(62)34(15-25-10-6-3-7-11-25)49-40(60)32-12-13-36(47)48-32)44(64)50-33(14-24-8-4-2-5-9-24)41(61)51-35(22-55)43(63)53-38(26-16-28(56)20-29(57)17-26)45(65)54-39(46(66)67-23)27-18-30(58)21-31(59)19-27/h2-13,16-21,23,33-35,37-39,48,55-59H,14-15,22H2,1H3,(H,49,60)(H,50,64)(H,51,61)(H,52,62)(H,53,63)(H,54,65)
• InChIKey: IGUQVVLOCYHROT-UHFFFAOYSA-N

Properties

• Density: 1.556g/cm³ (Cal.)
• Boiling point: 1449.023°C at 760 mmHg (Cal.)
• Flash point: 830.139°C (Cal.)