富马酸氯马斯汀(14976-57-9)质谱(MS)
分子式:C25H30ClNO5
分子量: 459.96
InChI:InChI=1/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/s3
InChIKey: PMGQWSIVQFOFOQ-OAGGAJFCNA-N
Smiles:[C@@](C)(OCC[C@H]1CCCN1C)(C1C=CC=CC=1)C1=CC=C(Cl)C=C1.C(/C(=O)O)=C\C(=O)O |&1:0,5,r|