(E)-3-Phenyl-1,4-Benzodioxan-2-Carboxylic Acid 2-(2-(Diethylamino)Ethoxy)Ethyl Ester Citrate
[CAS# 100447-55-0]

Identification

• Name: (E)-3-Phenyl-1,4-Benzodioxan-2-Carboxylic Acid 2-(2-(Diethylamino)Ethoxy)Ethyl Ester Citrate
• Synonyms: 3-Carboxy-4-Hydroxy-3-(Hydroxymethyl)-4-Oxo-Butanoate; Diethyl-[2-[2-[(2S,3R)-2-Phenyl2,3-Dihydro-1,4-Benzodioxine-3-Carbonyl]Oxyethoxy]Ethyl]Ammonium; 3-Carboxy-4-Hydroxy-3-(Hydroxymethyl)-4-Oxobutanoate; Diethyl-[2-[2-[Oxo-[(2S,3R)-2-Phenyl-2,3-Dihydro-1,4-Benzodioxin-3-Yl]Methoxy]Ethoxy]Ethyl]Ammonium; 3-Carboxy-4-Hydroxy-4-Keto-3-Methylol-Butyrate; Diethyl-[2-[2-[(2S,3R)-2-Phenyl2,3-Dihydro-1,4-Benzodioxine-3-Carbonyl]Oxyethoxy]Ethyl]Ammonium
• Molecular Formula: C₂₉H₃₇NO₁₂
• Molecular Weight: 591.61
• CAS Registry Number: 100447-55-0
• SMILES: [C@H]1(OC2=C(O[C@H]1C(OCCOCC[NH+](CC)CC)=O)C=CC=C2)C3=CC=CC=C3.C(C(C(=O)O)(C(=O)O)CO)C([O-])=O
• InChI: 1S/C23H29NO5.C6H8O7/c1-3-24(4-2)14-15-26-16-17-27-23(25)22-21(18-10-6-5-7-11-18)28-19-12-8-9-13-20(19)29-22;7-2-6(4(10)11,5(12)13)1-3(8)9/h5-13,21-22H,3-4,14-17H2,1-2H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/t21-,22+;/m0./s1
• InChIKey: YNNGGPDVBSEGQX-UMIAIAFLSA-N