化学式

CAS号

150742-85-1

IUPAC Name

(4R,4aR,7S,7aR,12bS)-9-甲氧基-3-甲基-2,4,4a,7,7a,13-六氢-1H-4,12-methanobenzofuro[3,2-e]异喹啉-7-醇;2-acetyloxybenzoic acid;5-乙基-5-苯基-1,3-六氢哒嗪-2,4,6-三酮;1,3,7-trimethylpurine-2,6-二酮 (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;2-acetyloxybenzoic acid;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,3,7-trimethylpurine-2,6-dione

InChI

InChI=1S/C18H21NO3.C12H12N2O3.C9H8O4.C8H10N4O2/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h3-6,11-13,17,20H,7-9H2,1-2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17);2-5H,1H3,(H,11,12);4H,1-3H3/t11-,12+,13-,17-,18-;;;/m0.../s1

InChI Key

NFEWXFLHLZKEKT-NLMNJOOOSA-N

Canonical SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C

别名

• Alnagon
• Aspirin / caffeine / codeine / phenobarbital
• Aspirin mixture with caffeine, codeine and phenobarbital
• 150742-85-1