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盐酸环胞苷CAS号 : 10212-25-6 Compound CID : 25050分子式: C9H11N3O4 · HCl 分子量: 261.66IUPAC Name: (2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;hydrochlorideSMILES: C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N.ClInChIKey: KZOWNALBTMILAP-JBMRGDGGSA-NInChI: InChI=1S/C9H11N3O4.ClH/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8;/h1-2,4,6-8,10,13-14H,3H2;1H/t4-,6-,7+,8-;/m1./s1
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西多福韦CAS号 : 113852-37-2 Compound CID : 60613分子式: C8H14N3O6P 分子量: 279.19IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acidSMILES: C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)OInChIKey: VWFCHDSQECPREK-LURJTMIESA-NInChI: InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
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更昔洛韦 水合物CAS号 : 82410-32-0 Compound CID : 135398740分子式: C9H13N5O4 分子量: 255.23IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-oneSMILES: C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)NInChIKey: IRSCQMHQWWYFCW-UHFFFAOYSA-NInChI: InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
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二乙三胺五乙酸钙三钠盐水合物CAS号 : 207226-35-5 Compound CID : 17749130分子式: C14H18CaN3Na3O10·xH2O 分子量: 497.36 (as Anhydrous)IUPAC Name: calcium;trisodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;hydrateSMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+].[Ca+2]InChIKey: AWBWYUNJDQLQGT-UHFFFAOYSA-IInChI: InChI=1S/C14H23N3O10.Ca.3Na.H2O/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;1H2/q;+2;3*+1;/p-5
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BX 513盐酸盐CAS号 : 1216540-18-9 Compound CID : 56972186分子式: C28H29ClN2O.HCl 分子量: 481.46IUPAC Name: 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochlorideSMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.ClInChIKey: SSZWNUGWOGONQJ-UHFFFAOYSA-NInChI: InChI=1S/C28H29ClN2O.ClH/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24;/h1-6,8-15,32H,7,16-21H2;1H
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更昔洛韦钠盐CAS号 : 107910-75-8 Compound CID : 23700083分子式: C9H12N5NaO4 分子量: 277.22IUPAC Name: sodium;2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)purin-6-olateSMILES: C1=NC2=C(N1COC(CO)CO)N=C(N=C2[O-])N.[Na+]InChIKey: JJICLMJFIKGAAU-UHFFFAOYSA-MInChI: InChI=1S/C9H13N5O4.Na/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);/q;+1/p-1
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FIT-039CAS号 : 1113044-49-7 Compound CID : 25186688分子式: C17H18FN3S 分子量: 315.41IUPAC Name: N-(5-fluoro-2-piperidin-1-ylphenyl)pyridine-4-carbothioamideSMILES: C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=S)C3=CC=NC=C3InChIKey: VRKZHYSJZOUICG-UHFFFAOYSA-NInChI: InChI=1S/C17H18FN3S/c18-14-4-5-16(21-10-2-1-3-11-21)15(12-14)20-17(22)13-6-8-19-9-7-13/h4-9,12H,1-3,10-11H2,(H,20,22)
