Luciferin
[CAS# 7273-34-9]

Identification

• Name: Luciferin
• Synonyms: 1-(3-{2-[(2S)-Butan-2-Yl]-6-(1H-Indol-3-Yl)-3-Oxo-3,7-Dihydroimidazo[1,2-A]Pyrazin-8-Yl}Propyl)Guanidine; Chebi:17073; [3-[3,7-Dihydro-6-(1H-Indol-3-Yl)-2-[(S)-1-Methyl-6-Propyl]-3-Oxoimidazo[1,2-A]Pyrazin-8-Yl]Propyl]Guanidine
• Molecular Formula: C₂₂H₂₇N₇O
• Molecular Weight: 405.50
• CAS Registry Number: 7273-34-9
• SMILES: [C@@H](C2=NC1=C(NC(=CN1C2=O)C3=C[NH]C4=CC=CC=C34)CCCN=C(N)N)(CC)C
• InChI: 1S/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26-27H,3,6,9-10H2,1-2H3,(H4,23,24,25)/t13-/m0/s1
• InChIKey: ZWPWSXGBDMGKKS-ZDUSSCGKSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 626.029°C at 760 mmHg (Cal.)
• Flash point: 332.411°C (Cal.)