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阿利马嗪酒石酸盐CAS号: 4330-99-8分子式: C36H44N4S2·C4H6O6 分子量: 746.98IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amineSMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(C(C(=O)O)O)(C(=O)O)OInChIKey: AJZJIYUOOJLBAU-CEAXSRTFSA-NInChI: 1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
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脱羧氯雷他定CAS号: 100643-71-8分子式: C19H19ClN2 分子量: 310.83IUPAC Name: 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaeneSMILES: C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4InChIKey: JAUOIFJMECXRGI-UHFFFAOYSA-NInChI: 1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
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米诺地尔CAS号: 38304-91-5分子式: C9H15N5O 分子量: 209.25IUPAC Name: 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amineSMILES: C1CCN(CC1)C2=NC(=N)N(C(=C2)N)OInChIKey: ZIMGGGWCDYVHOY-UHFFFAOYSA-NInChI: 1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,11,15H,1-5,10H2
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Nicergoline,α拮抗剂CAS号: 27848-84-6分子式: C24H26BrN3O3 分子量: 484.39IUPAC Name: [(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylateSMILES: CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)BrInChIKey: YSEXMKHXIOCEJA-FVFQAYNVSA-NInChI: 1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1
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盐酸尼莫司汀CAS号: 55661-38-6分子式: C9H13ClN6O2·HCl 分子量: 309.15IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea;hydrochlorideSMILES: CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O.ClInChIKey: KPMKNHGAPDCYLP-UHFFFAOYSA-NInChI: 1S/C9H13ClN6O2.ClH/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10;/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14);1H
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奥美拉唑硫化物CAS号: 73590-85-9分子式: C17H19N3O2S 分子量: 329.42IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazoleSMILES: CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OCInChIKey: XURCIPRUUASYLR-UHFFFAOYSA-NInChI: 1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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溴吡斯的明分子式: C9H13BrN2O2 分子量: 261.12IUPAC Name: (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate;bromideSMILES: C[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-]InChIKey: VNYBTNPBYXSMOO-UHFFFAOYSA-MInChI: 1S/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1
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7-异丙基-1,4-二甲基甘菊环-3-磺酸钠分子式: C15H17NaO3S 分子量: 300.35IUPAC Name: sodium;3,8-dimethyl-5-propan-2-ylazulene-1-sulfonateSMILES: CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].[Na+]InChIKey: GEYJUFBPCGDENK-UHFFFAOYSA-MInChI: 1S/C15H18O3S.Na/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18;/h5-9H,1-4H3,(H,16,17,18);/q;+1/p-1
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匹可硫酸钠一水合物CAS号: 1307301-38-7 Compound CID : 5282431分子式: C18H13NNa2O8S2·H2O 分子量: 481.4IUPAC Name: disodium;[4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate;hydrateSMILES: C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=C(C=C3)OS(=O)(=O)[O-].O.[Na+].[Na+]InChIKey: FHYUVJHZGPGDSP-UHFFFAOYSA-LInChI: 1S/C18H15NO8S2.2Na.H2O/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;;1H2/q;2*+1;/p-2
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磷酸精胺六水合物CAS号: 58298-97-8 Compound CID : 57358275分子式: C10H26N4·2H3PO4·6H2O 分子量: 398.33IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine;phosphoric acid;hexahydrateSMILES: C(CCNCCCN)CNCCCN.O.O.O.O.O.O.OP(=O)(O)O.OP(=O)(O)OInChIKey: WMFKFCJIERGVIW-UHFFFAOYSA-NInChI: 1S/C10H26N4.2H3O4P.6H2O/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;2*1-5(2,3)4;;;;;;/h13-14H,1-12H2;2*(H3,1,2,3,4);6*1H2
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三氟拉嗪二盐酸盐分子式: C21H24F3N3S·2HCl 分子量: 480.42IUPAC Name: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;dihydrochlorideSMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl.ClInChIKey: BXDAOUXDMHXPDI-UHFFFAOYSA-NInChI: 1S/C21H24F3N3S.2ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;2*1H
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