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吗氯贝胺CAS号: 71320-77-9 EC号: MFCD00865388分子式: C13H17ClN2O2 分子量: 268.74IUPAC Name: 4-chloro-N-(2-morpholin-4-ylethyl)benzamideSMILES: C1COCCN1CCNC(=O)C2=CC=C(C=C2)ClInChIKey: YHXISWVBGDMDLQ-UHFFFAOYSA-NInChI: 1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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帕莫酸分子式: C23H16O6 分子量: 388.37IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acidSMILES: C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)OInChIKey: WLJNZVDCPSBLRP-UHFFFAOYSA-NInChI: 1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
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胡椒碱分子式: C17H19NO3 分子量: 285.34IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-oneSMILES: C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-NInChI: 1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
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胡椒碱分子式: C17H19NO3 分子量: 285.34IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-oneSMILES: C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-NInChI: 1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
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匹格列酮CAS号: 111025-46-8分子式: C19H20N2O3S 分子量: 356.44IUPAC Name: 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dioneSMILES: CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3InChIKey: HYAFETHFCAUJAY-UHFFFAOYSA-NInChI: 1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
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罗格列酮CAS号: 122320-73-4 Compound CID : 77999分子式: C18H19N3O3S 分子量: 357.43IUPAC Name: 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dioneSMILES: CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3InChIKey: YASAKCUCGLMORW-UHFFFAOYSA-NInChI: 1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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甲磺酸雷沙吉兰CAS号: 161735-79-1 Compound CID : 3052775分子式: C12H13N·CH4O3S 分子量: 267.34IUPAC Name: methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amineSMILES: CS(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12InChIKey: JDBJJCWRXSVHOQ-UTONKHPSSA-NInChI: 1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1
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(R)-(-)-丙炔苯丙胺 盐酸盐CAS号: 14611-52-0分子式: C13H17N · HCl 分子量: 223.74IUPAC Name: (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;hydrochlorideSMILES: CC(CC1=CC=CC=C1)N(C)CC#C.ClInChIKey: IYETZZCWLLUHIJ-UTONKHPSSA-NInChI: 1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1
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红景天苷CAS号: 10338-51-9 Compound CID : 159278分子式: C14H20O7 分子量: 300.31IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triolSMILES: C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)OInChIKey: ILRCGYURZSFMEG-RKQHYHRCSA-NInChI: 1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
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沙芬酰胺CAS号: 133865-89-1 Compound CID : 131682分子式: C17H19FN2O2 分子量: 302.34IUPAC Name: (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamideSMILES: CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)FInChIKey: NEMGRZFTLSKBAP-LBPRGKRZSA-NInChI: 1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
