(4-N-(2-Chloroethyl)-N-Methylaminobenzyl)Amide Guanosine-5'-Triphosphate
[CAS# 83209-68-1]

Identification

• Name: (4-N-(2-Chloroethyl)-N-Methylaminobenzyl)Amide Guanosine-5'-Triphosphate
• Synonyms: [[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-[[4-(2-Chloroethyl-Methyl-Amino)Phenyl]Methyl]Phosphonamidic Acid; [[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-N-[[4-(2-Chloroethyl-Methylamino)Phenyl]Methyl]Phosphonamidic Acid; [[[(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-[4-(2-Chloroethyl-Methyl-Amino)Benzyl]Phosphonamidic Acid
• Molecular Formula: C₂₀H₂₉ClN₇O₁₃P₃
• Molecular Weight: 703.86
• CAS Registry Number: 83209-68-1
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]2C3=C(N=C2)C(=O)N=C(N3)N)CO[P](O[P](O[P](O)(=O)NCC4=CC=C(N(CCCl)C)C=C4)(O)=O)(O)=O
• InChI: 1S/C20H29ClN7O13P3/c1-27(7-6-21)12-4-2-11(3-5-12)8-24-42(32,33)40-44(36,37)41-43(34,35)38-9-13-15(29)16(30)19(39-13)28-10-23-14-17(28)25-20(22)26-18(14)31/h2-5,10,13,15-16,19,29-30H,6-9H2,1H3,(H,34,35)(H,36,37)(H2,24,32,33)(H3,22,25,26,31)/t13-,15-,16-,19-/m1/s1
• InChIKey: CHFHOSVMLBWCON-NVQRDWNXSA-N