Cocaine-Dipicrylaminate
[CAS# 119519-02-7]

Identification

• Name: Cocaine-Dipicrylaminate
• Synonyms: Methyl (1R,2S,3R,5S)-8-Methyl-3-(2-Oxo-2-Phenyl-Ethyl)-8-Azabicyclo[3.2.1]Octane-2-Carboxylate; 2,4,6-Trinitro-N-(2,4,6-Trinitrophenyl)Aniline; (1R,2S,3R,5S)-8-Methyl-3-(2-Oxo-2-Phenylethyl)-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; 2,4,6-Trinitro-N-(2,4,6-Trinitrophenyl)Aniline; Dipicrylamine; (1R,2S,3R,5S)-3-(2-Keto-2-Phenyl-Ethyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester
• Molecular Formula: C₃₀H₂₈N₈O₁₅
• Molecular Weight: 740.60
• CAS Registry Number: 119519-02-7
• SMILES: [C@H]13N([C@H](C[C@@H]([C@@H]1C(OC)=O)CC(=O)C2=CC=CC=C2)CC3)C.C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C(=C4[N+]([O-])=O)NC5=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C5[N+]([O-])=O
• InChI: 1S/C18H23NO3.C12H5N7O12/c1-19-14-8-9-15(19)17(18(21)22-2)13(10-14)11-16(20)12-6-4-3-5-7-12;20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h3-7,13-15,17H,8-11H2,1-2H3;1-4,13H/t13-,14+,15-,17+;/m1./s1
• InChIKey: WQGLUQDSKZDCHQ-PSDBAABZSA-N