Tac combination
[CAS# 82824-07-5]

Identification

• Name: Tac combination
• Synonyms: 4-Butylaminobenzoic Acid 2-Dimethylaminoethyl Ester; 4-[(1R)-1-Hydroxy-2-Methylamino-Ethyl]Pyrocatechol; 2-Dimethylaminoethyl 4-Butylaminobenzoate; 4-[(1R)-1-Hydroxy-2-Methylamino-Ethyl]Benzene-1,2-Diol; Methyl (1R,2R,3S,5S)-3-(Benzoyloxy)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate; 4-Butylaminobenzoic Acid 2-Dimethylaminoethyl Ester
• Molecular Formula: C₄₁H₅₈N₄O₉
• Molecular Weight: 750.93
• CAS Registry Number: 82824-07-5
• SMILES: [C@H]23N([C@H](C[C@H](OC(=O)C1=CC=CC=C1)[C@@H]2C(OC)=O)CC3)C.[C@@H](O)(C4=CC(=C(O)C=C4)O)CNC.C(OC(=O)C5=CC=C(NCCCC)C=C5)CN(C)C
• InChI: 1S/C17H21NO4.C15H24N2O2.C9H13NO3/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;1-10-5-9(13)6-2-3-7(11)8(12)4-6/h3-7,12-15H,8-10H2,1-2H3;6-9,16H,4-5,10-12H2,1-3H3;2-4,9-13H,5H2,1H3/t12-,13+,14-,15+;;9-/m0.0/s1
• InChIKey: UPAWIKUZXZKSOH-OPSIUPSMSA-N