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1,2-二肉豆蔻酰-rac-甘油-3-甲氧基聚乙二醇2000CAS号: 1397695-86-1分子式: C122H242O50(average MW due to polydispersity of PEG) 分子量: 2509.20IUPAC Name: [3-(2-methoxyethoxy)-2-tetradecanoyloxypropyl] tetradecanoateSMILES: O=C(CCCCCCCCCCCCC)OCC(OC(CCCCCCCCCCCCC)=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCInChIKey: HYXWVUFYXOOASK-UHFFFAOYSA-NInChI: 1S/C34H66O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-33(35)39-31-32(30-38-29-28-37-3)40-34(36)27-25-23-21-19-17-15-13-11-9-7-5-2/h32H,4-31H2,1-3H3
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丹曲林钠 3.5水合物CAS号: 24868-20-0 Compound CID : 9568637分子式: C14H9N4O5·7/2H2O·Na 分子量: 399.29IUPAC Name: disodium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate;heptahydrateSMILES: C1C(=NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].C1C(=NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].O.O.O.O.O.O.O.[Na+].[Na+]InChIKey: LTWQNYPDAUSXBC-CDJGKPBYSA-LInChI: 1S/2C14H10N4O5.2Na.7H2O/c2*19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;;;;;;;;;/h2*1-7H,8H2,(H,16,19,20);;;7*1H2/q;;2*+1;;;;;;;/p-2/b2*15-7+;;;;;;;;;
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二苯并呋喃-3-硼酸CAS号: 395087-89-5分子式: C12H9BO3 分子量: 212.01IUPAC Name: dibenzofuran-3-ylboronic acidSMILES: B(C1=CC2=C(C=C1)C3=CC=CC=C3O2)(O)OInChIKey: FQENSZQWKVWYPA-UHFFFAOYSA-NInChI: 1S/C12H9BO3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7,14-15H
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5,6-二氢尿苷CAS号: 5627-05-4分子式: C9H14N2O6 分子量: 246.22IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dioneSMILES: C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OInChIKey: ZPTBLXKRQACLCR-XVFCMESISA-NInChI: 1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
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甲磺酸达比加群酯CAS号: 872728-81-9分子式: C35H45N7O8S 分子量: 723.86IUPAC Name: ethyl 3-[[2-[[4-[(Z)-N'-hexoxycarbonylcarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;methanesulfonic acidSMILES: CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N.CS(=O)(=O)OInChIKey: XETBXHPXHHOLOE-UHFFFAOYSA-NInChI: See more
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顺式-1-苄基-3,4-吡咯烷二甲酸二甲酯CAS号: 87813-06-7分子式: C15H19NO4 分子量: 277.32IUPAC Name: dimethyl (3R,4S)-1-benzylpyrrolidine-3,4-dicarboxylateSMILES: COC(=O)C1CN(CC1C(=O)OC)CC2=CC=CC=C2InChIKey: JSRVVUSBZJFOJO-BETUJISGSA-NInChI: 1S/C15H19NO4/c1-19-14(17)12-9-16(10-13(12)15(18)20-2)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+
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达格列净一水丙二醇分子式: C24H35ClO9 分子量: 502.98IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S)-propane-1,2-diol;hydrateSMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl.CC(CO)O.OInChIKey: GOADIQFWSVMMRJ-UPGAGZFNSA-NInChI: See more
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56 22-二氟-2-（3-甲氧基吡啶-2-基）乙酸CAS号: 1698403-23-4分子式: C8H7F2NO3 分子量: 203.14IUPAC Name: 2,2-difluoro-2-(3-methoxypyridin-2-yl)acetic acidSMILES: COC1=C(N=CC=C1)C(C(=O)O)(F)FInChIKey: NKYKIORINXXZON-UHFFFAOYSA-NInChI: 1S/C8H7F2NO3/c1-14-5-3-2-4-11-6(5)8(9,10)7(12)13/h2-4H,1H3,(H,12,13)
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3-氯-245-三氟苯甲酰乙酸乙酯 （西他沙星中间体）CAS号: 101987-86-4分子式: C11H8ClF3O3 分子量: 280.63IUPAC Name: ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoateSMILES: CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)Cl)F)FInChIKey: LZMXLCPYJNRWNQ-UHFFFAOYSA-NInChI: 1S/C11H8ClF3O3/c1-2-18-8(17)4-7(16)5-3-6(13)11(15)9(12)10(5)14/h3H,2,4H2,1H3
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