Antigrippen
[CAS# 76721-94-3]

Identification

• Name: Antigrippen
• Synonyms: Calcium; 2-Acetoxybenzoic Acid; 2-Benzhydryloxy-N,N-Dimethyl-Ethanamine; (2R)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-Furan-3-One; 2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 2-Hydroxypropanoate
• Molecular Formula: C₆₅H₇₈CaClNO₃₃
• Molecular Weight: 1476.85
• CAS Registry Number: 76721-94-3
• SMILES: [C@@H]4(O[C@@H](OC2=C(OC1=CC(=CC(=C1C2=O)O)O)C3=CC(=C(O)C=C3)O)[C@H](O)[C@@H](O)[C@@H]4O)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C.[C@@H]6(OC(=C(O)C6=O)O)[C@@H](O)CO.C(O)(C)C([O-])=O.C(O)(C)C([O-])=O.[Cl-].C(OC(C7=CC=CC=C7)C8=CC=CC=C8)CN(C)C.[Ca++].C(O)(=O)C9=CC=CC=C9OC(=O)C
• InChI: 1S/C27H30O16.C17H21NO.C9H8O4.C6H8O6.2C3H6O3.Ca.ClH/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-1-2(8)5-3(9)4(10)6(11)12-5;2*1-2(4)3(5)6;;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;3-12,17H,13-14H2,1-2H3;2-5H,1H3,(H,11,12);2,5,7-8,10-11H,1H2;2*2,4H,1H3,(H,5,6);;1H/q;;;;;;+2;/p-2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;2-,5+;;;;/m0..0..../s1
• InChIKey: CSSDPAINAIARJA-GGIOGQMFSA-L