[(1S)-4-[(Aminoiminomethyl)Amino]-1-[[(4-Methyl-2-Oxo-2H-1-Benzopyran-7-Yl)Amino]Carbonyl]Butyl]-Carbamic Acid Phenylmethyl Ester Monohydrochloride
[CAS# 70375-22-3]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Arginine derivatives
• Name: [(1S)-4-[(Aminoiminomethyl)Amino]-1-[[(4-Methyl-2-Oxo-2H-1-Benzopyran-7-Yl)Amino]Carbonyl]Butyl]-Carbamic Acid Phenylmethyl Ester Monohydrochloride
• Synonyms: Benzyl N-[4-Guanidino-1-[(4-Methyl-2-Oxo-Chromen-7-Yl)Carbamoyl]Butyl]Carbamate Hydrochloride; N-[4-Guanidino-1-[[(4-Methyl-2-Oxo-7-Chromenyl)Amino]-Oxomethyl]Butyl]Carbamic Acid Benzyl Ester Hydrochloride; N-[4-Guanidino-1-[(2-Keto-4-Methyl-Chromen-7-Yl)Carbamoyl]Butyl]Carbamic Acid Benzyl Ester Hydrochloride
• Molecular Formula: C₂₄H₂₈ClN₅O₅
• Molecular Weight: 501.97
• CAS Registry Number: 70375-22-3
• EINECS: 274-586-3
• SMILES: [H+].C2=C(NC(=O)C(NC(OCC1=CC=CC=C1)=O)CCCN=C(N)N)C=CC3=C2OC(=O)C=C3C.[Cl-]
• InChI: 1S/C24H27N5O5.ClH/c1-15-12-21(30)34-20-13-17(9-10-18(15)20)28-22(31)19(8-5-11-27-23(25)26)29-24(32)33-14-16-6-3-2-4-7-16;/h2-4,6-7,9-10,12-13,19H,5,8,11,14H2,1H3,(H,28,31)(H,29,32)(H4,25,26,27);1H
• InChIKey: JYWCRDUTYUBXOL-UHFFFAOYSA-N

Properties

• Boiling point: 793°C at 760 mmHg (Cal.)
• Flash point: 433.4°C (Cal.)