小分子和化合物库
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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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5-降冰片烯-2,3-二甲酰亚胺CAS号: 3647-74-3分子式: C9H9NO2 分子量: 163.18IUPAC Name: 4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dioneSMILES: C1C2C=CC1C3C2C(=O)NC3=OInChIKey: GPIUUMROPXDNRH-UHFFFAOYSA-NInChI: 1S/C9H9NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h1-2,4-7H,3H2,(H,10,11,12)
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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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奥美普林CAS号: 6981-18-6分子式: C14H18N4O2 分子量: 274.32IUPAC Name: 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamineSMILES: CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OCInChIKey: KEEYRKYKLYARHO-UHFFFAOYSA-NInChI: 1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
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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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3-O-乙基-L-抗坏血酸CAS号: 86404-04-8分子式: C8H12O6 分子量: 204.18IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-oneSMILES: CCOC1=C(C(=O)OC1C(CO)O)OInChIKey: ZGSCRDSBTNQPMS-UJURSFKZSA-NInChI: 1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
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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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