小分子和化合物库
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卡维地洛CAS号 : 72956-09-3 Compound CID : 2585分子式: C24H26N2O4 分子量: 406.47IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-olSMILES: COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)OInChIKey: OGHNVEJMJSYVRP-UHFFFAOYSA-NInChI: InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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BRL 37344,钠盐CAS号 : 127299-93-8 Compound CID : 16219010分子式: C19H21NO4ClNa 分子量: 385.82IUPAC Name: sodium;2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetateSMILES: CC(CC1=CC=C(C=C1)OCC(=O)[O-])NCC(C2=CC(=CC=C2)Cl)O.[Na+]InChIKey: SNJIJYKMYQRHRC-WJKBNZMCSA-MInChI: InChI=1S/C19H22ClNO4.Na/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24;/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24);/q;+1/p-1/t13-,18+;/m1./s1
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MirabegronCAS号 : 223673-61-8(DMSO)分子式: C21H24N4O2S 分子量: 396.51SMILES: NC1=NC(=CS1)CC(=O)NC2=CC=C(CCNCC(O)C3=CC=CC=C3)C=C2
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卡维地洛CAS号 : 72956-09-3(DMSO)分子式: C24H26N2O4 分子量: 406.47SMILES: COC1=CC=CC=C1OCCNCC(O)COC2=C3C(=CC=C2)[NH]C4=C3C=CC=C4
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米拉贝隆CAS号 : 223673-61-8 Compound CID : 9865528分子式: C21H24N4O2S 分子量: 396.51IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamideSMILES: C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)OInChIKey: PBAPPPCECJKMCM-IBGZPJMESA-NInChI: InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1
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纳多洛尔CAS号 : 42200-33-9 Compound CID : 39147分子式: C17H27NO4 分子量: 309.4IUPAC Name: (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diolSMILES: CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)OInChIKey: VWPOSFSPZNDTMJ-UCWKZMIHSA-NInChI: InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
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卡拉洛尔CAS号 : 57775-29-8 Compound CID : 71739分子式: C18H22N2O2 分子量: 298.38IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-olSMILES: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)OInChIKey: BQXQGZPYHWWCEB-UHFFFAOYSA-NInChI: InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
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卡拉洛尔CAS号 : 57775-29-8 Compound CID : 71739分子式: C18H22N2O2 分子量: 298.38IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-olSMILES: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)OInChIKey: BQXQGZPYHWWCEB-UHFFFAOYSA-NInChI: InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
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Bupranolol,β肾上腺素受体拮抗剂CAS号 : 14556-46-8 Compound CID : 2475分子式: C14H22ClNO2 分子量: 271.78IUPAC Name: 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-olSMILES: CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)C)OInChIKey: HQIRNZOQPUAHHV-UHFFFAOYSA-NInChI: InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
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