[3-[[1-Methyl-5-[[1-Methyl-5-(Propylcarbamoyl)Pyrrol-3-Yl]Carbamoyl]Pyrrol-3-Yl]Amino]-3-Oxopropyl] Methanesulfonate
[CAS# 148965-72-4]

Identification

• Name: [3-[[1-Methyl-5-[[1-Methyl-5-(Propylcarbamoyl)Pyrrol-3-Yl]Carbamoyl]Pyrrol-3-Yl]Amino]-3-Oxopropyl] Methanesulfonate
• Synonyms: [3-[[1-Methyl-5-[[1-Methyl-5-(Propylcarbamoyl)Pyrrol-3-Yl]Carbamoyl]Pyrrol-3-Yl]Amino]-3-Oxo-Propyl] Methanesulfonate; Methanesulfonic Acid [3-[[1-Methyl-5-[[[1-Methyl-5-(Oxo-Propylaminomethyl)-3-Pyrrolyl]Amino]-Oxomethyl]-3-Pyrrolyl]Amino]-3-Oxopropyl] Ester; Methanesulfonic Acid [3-Keto-3-[[1-Methyl-5-[[1-Methyl-5-(Propylcarbamoyl)Pyrrol-3-Yl]Carbamoyl]Pyrrol-3-Yl]Amino]Propyl] Ester
• Molecular Formula: C₁₉H₂₇N₅O₆S
• Molecular Weight: 453.51
• CAS Registry Number: 148965-72-4
• SMILES: C1=C([N](C=C1NC(=O)CCO[S](=O)(=O)C)C)C(=O)NC2=C[N](C(=C2)C(=O)NCCC)C
• InChI: 1S/C19H27N5O6S/c1-5-7-20-18(26)15-10-14(12-23(15)2)22-19(27)16-9-13(11-24(16)3)21-17(25)6-8-30-31(4,28)29/h9-12H,5-8H2,1-4H3,(H,20,26)(H,21,25)(H,22,27)
• InChIKey: OGSZGJBJQIGPFD-UHFFFAOYSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 707.918°C at 760 mmHg (Cal.)
• Flash point: 381.935°C (Cal.)