2-(acetyloxy)-Benzoic acid mixt. with (S-(R*,S*))-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate 2-naphthalenesulfonate and N-(4-ethoxyphenyl)acetamide
[CAS# 86290-92-8]

Identification

• Name: 2-(acetyloxy)-Benzoic acid mixt. with (S-(R*,S*))-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate 2-naphthalenesulfonate and N-(4-ethoxyphenyl)acetamide
• Synonyms: Benzoic acid, 2-(acetyloxy)-, mixt. with (S-(R*,S*))-3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate 2-naphthalenesulfonate and N-(4-ethoxyphenyl)acetamide; DP-Neuralgen
• Molecular Formula: C₅₁H₅₈N₂O₁₁S
• Molecular Weight: 907.08
• CAS Registry Number: 86290-92-8
• SMILES: O=C(Oc1ccccc1C(=O)O)C.O=S(=O)(O)c2cc1ccccc1cc2.O=C(O[C@@](c1ccccc1)(Cc2ccccc2)[C@H](C)CN(C)C)CC.O=C(Nc1ccc(OCC)cc1)C
• InChI: 1S/C22H29NO2.C10H13NO2.C10H8O3S.C9H8O4/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;1-3-13-10-6-4-9(5-7-10)11-8(2)12;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h6-15,18H,5,16-17H2,1-4H3;4-7H,3H2,1-2H3,(H,11,12);1-7H,(H,11,12,13);2-5H,1H3,(H,11,12)/t18-,22+;;;/m1.../s1
• InChIKey: GMBKKNFDYUFFHR-UZTZODMCSA-N

Properties

• Boiling point: 444°C at 760 mmHg (Cal.)
• Flash point: 130.6°C (Cal.)