化学合成
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7-氨基去乙酰氧基头孢烷酸CAS号 : 22252-43-3分子式: C8H10N2O3S 分子量: 214.24IUPAC Name: (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidSMILES: CC1=C(N2C(C(C2=O)N)SC1)C(=O)OInChIKey: NVIAYEIXYQCDAN-CLZZGJSISA-NInChI: InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1
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2-氯-4-氨基甲苯-5-磺酸钠分子式: C7H7ClNNaO3S 分子量: 243.64IUPAC Name: sodium;2-amino-4-chloro-5-methylbenzenesulfonateSMILES: CC1=CC(=C(C=C1Cl)N)S(=O)(=O)[O-].[Na+]InChIKey: KMIGBVSYNVXBEI-UHFFFAOYSA-MInChI: InChI=1S/C7H8ClNO3S.Na/c1-4-2-7(13(10,11)12)6(9)3-5(4)8;/h2-3H,9H2,1H3,(H,10,11,12);/q;+1/p-1
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牛蒡子苷元分子式: C21H24O6 分子量: 372.41IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-oneSMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OCInChIKey: NQWVSMVXKMHKTF-JKSUJKDBSA-NInChI: InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
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4-(氨基甲基)苯腈 盐酸盐CAS号 : 15996-76-6 Compound CID : 9942250分子式: C8H8N2·HCl 分子量: 168.62IUPAC Name: 4-(aminomethyl)benzonitrile;hydrochlorideSMILES: C1=CC(=CC=C1CN)C#N.ClInChIKey: QREZLLYPLRPULF-UHFFFAOYSA-NInChI: InChI=1S/C8H8N2.ClH/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H,5,9H2;1H
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4-[(4-甲基哌嗪-1-基)甲基]苯甲酸二盐酸盐CAS号 : 106261-49-8 Compound CID : 10335346分子式: C13H18N2O2·2HCl 分子量: 307.22IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochlorideSMILES: CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.Cl.ClInChIKey: ISHROKOWRJDOSN-UHFFFAOYSA-NInChI: InChI=1S/C13H18N2O2.2ClH/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17;;/h2-5H,6-10H2,1H3,(H,16,17);2*1H
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2-巯基-5-硝基苯并咪唑分子式: C7H5N3O2S 分子量: 195.2IUPAC Name: 5-nitro-1,3-dihydrobenzimidazole-2-thioneSMILES: C1=CC2=C(C=C1[N+](=O)[O-])NC(=S)N2InChIKey: YPXQSGWOGQPLQO-UHFFFAOYSA-NInChI: InChI=1S/C7H5N3O2S/c11-10(12)4-1-2-5-6(3-4)9-7(13)8-5/h1-3H,(H2,8,9,13)
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