Combiflex
[CAS# 81246-66-4]

Identification

• Name: Combiflex
• Synonyms: (2S)-2-Amino-5-Guanidino-Pentanoic Acid; 2-[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-Indol-3-Yl]Acetic Acid; N-Methyl-2-[1-(1-Methyl-2-Phenyl-Ethyl)-6-Oxo-3-Phenyl-Pyridazin-1-Ium-1-Yl]Acetamide; (2S)-2-Amino-5-Guanidinopentanoic Acid; 2-[1-[(4-Chlorophenyl)-Oxomethyl]-5-Methoxy-2-Methyl-3-Indolyl]Acetic Acid; N-Methyl-2-[1-(1-Methyl-2-Phenylethyl)-6-Oxo-3-Phenyl-1-Pyridazin-1-Iumyl]Acetamide
• Molecular Formula: C₄₇H₅₄ClN₈O₈
• Molecular Weight: 894.45
• CAS Registry Number: 81246-66-4
• SMILES: [C@H](N)(CCCN=C(N)N)C(O)=O.C1=C(OC)C=CC2=C1C(=C([N]2C(=O)C3=CC=C(Cl)C=C3)C)CC(O)=O.C6=C(CC([N+]4(N=C(C=CC4=O)C5=CC=CC=C5)CC(=O)NC)C)C=CC=C6
• InChI: 1S/C22H23N3O2.C19H16ClNO4.C6H14N4O2/c1-17(15-18-9-5-3-6-10-18)25(16-21(26)23-2)22(27)14-13-20(24-25)19-11-7-4-8-12-19;1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;7-4(5(11)12)2-1-3-10-6(8)9/h3-14,17H,15-16H2,1-2H3;3-9H,10H2,1-2H3,(H,22,23);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t;;4-/m..0/s1
• InChIKey: LZHDVYGCJYOLBU-MCIOAOFGSA-O