FDA批准的配体 - 小分子和化合物库

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阿达帕林
- ≥98%
CAS号 : 106685-40-9 Compound CID : 60164

分子式: C₂₈H₂₈O₃ 分子量: 412.52

IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid

SMILES: COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChIKey: LZCDAPDGXCYOEH-UHFFFAOYSA-N

InChI: InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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奥昔布宁
- ≥98%
CAS号 : 5633-20-5 Compound CID : 4634

分子式: C₂₂H₃₁NO₃ 分子量: 357.49

IUPAC Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

SMILES: CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

InChIKey: XIQVNETUBQGFHX-UHFFFAOYSA-N

InChI: InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
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维生素A酸
- ≥98%
CAS号 : 302-79-4

分子式: C₂₀H₂₈O₂ 分子量: 300.44

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N

InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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维生素A酸
CAS号 : 302-79-4

分子式: C₂₀H₂₈O₂ 分子量: 300.44

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N

InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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他米巴罗汀
- ≥98%
CAS号 : 94497-51-5 Compound CID : 108143

分子式: C₂₂H₂₅NO₃ 分子量: 351.44

IUPAC Name: 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid

SMILES: CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C

InChIKey: MUTNCGKQJGXKEM-UHFFFAOYSA-N

InChI: InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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阿托品
- ≥99%
CAS号 : 51-55-8 Compound CID : 174174

分子式: C₁₇H₂₃NO₃ 分子量: 289.37

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate

SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

InChIKey: RKUNBYITZUJHSG-PJPHBNEVSA-N

InChI: InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
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东莨菪碱氢溴酸盐
- ≥98%
CAS号 : 114-49-8 Compound CID : 6603108

分子式: C₁₇H₂₁NO₄.HBr 分子量: 384.26

IUPAC Name: [(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide

SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br

InChIKey: WTGQALLALWYDJH-WYHSTMEOSA-N

InChI: InChI=1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+;/m1./s1
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丙美卡因
CAS号 : 298-50-0 Compound CID : 4934

分子式: C₁₆H₂₆N₂O₃ 分子量: 294.39

IUPAC Name: methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium

SMILES: CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C

InChIKey: VVWYOYDLCMFIEM-UHFFFAOYSA-N

InChI: InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1
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哌仑西平
CAS号 : 28797-61-7 Compound CID : 4848

分子式: C₁₉H₂₁N₅O₂ 分子量: 351.4

IUPAC Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

SMILES: CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChIKey: RMHMFHUVIITRHF-UHFFFAOYSA-N

InChI: InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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比哌立登
CAS号 : 514-65-8 Compound CID : 2381

分子式: C₂₁H₂₉NO 分子量: 311.47

IUPAC Name: 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol

SMILES: C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O

InChIKey: YSXKPIUOCJLQIE-UHFFFAOYSA-N

InChI: InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2
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毛果芸香碱
- ≥98%
CAS号 : 92-13-7 Compound CID : 5910

分子式: C₁₁H₁₆N₂O₂ 分子量: 208.26

IUPAC Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one

SMILES: CCC1C(COC1=O)CC2=CN=CN2C

InChIKey: QCHFTSOMWOSFHM-WPRPVWTQSA-N

InChI: InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
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Promethazine
- ≥98%
CAS号 : 60-87-7 Compound CID : 4927

分子式: C₁₇H₂₀N₂S 分子量: 284.42

IUPAC Name: N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine

SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C

InChIKey: PWWVAXIEGOYWEE-UHFFFAOYSA-N

InChI: InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
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