WHO基本药物配体 - 小分子和化合物库

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他莫西芬
- ≥99%(HPLC)
CAS号 : 10540-29-1

分子式: C₂₆H₂₉NO 分子量: 371.51

IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N

InChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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卡比多巴
- ≥98%
CAS号 : 28860-95-9 Compound CID : 34359

分子式: C₁₀H₁₄N₂O₄ 分子量: 226.23

IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid

SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN

InChIKey: TZFNLOMSOLWIDK-JTQLQIEISA-N

InChI: InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1
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氟西汀
- ≥99%
CAS号 : 54910-89-3

分子式: C₁₇H₁₈F₃NO 分子量: 309.33

IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F

InChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N

InChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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氯丙嗪
- ≥95%
CAS号 : 50-53-3 Compound CID : 2726

分子式: C₁₇H₁₉ClN₂S 分子量: 318.9

IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N

InChI: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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氯喹
- ≥97%
CAS号 : 54-05-7 Compound CID : 2719

分子式: C₁₈H₂₆ClN₃ 分子量: 319.87

IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl

InChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-N

InChI: InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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Fluphenazine
- ≥98%
CAS号 : 69-23-8 Compound CID : 3372

分子式: C₂₂H₂₆F₃N₃OS 分子量: 437.53

IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol

SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

InChIKey: PLDUPXSUYLZYBN-UHFFFAOYSA-N

InChI: InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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胺碘酮
- ≥98%
CAS号 : 1951-25-3 Compound CID : 2157

分子式: C₂₅H₂₉I₂NO₃ 分子量: 645.32

IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone

SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I

InChIKey: IYIKLHRQXLHMJQ-UHFFFAOYSA-N

InChI: InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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阿米替林
- ≥98%
CAS号 : 50-48-6 Compound CID : 2160

分子式: C₂₀H₂₃N 分子量: 277.41

IUPAC Name: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31

InChIKey: KRMDCWKBEZIMAB-UHFFFAOYSA-N

InChI: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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羟基氯喹
- ≥98%
CAS号 : 118-42-3 Compound CID : 3652

分子式: C₁₈H₂₆ClN₃O 分子量: 335.9

IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol

SMILES: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO

InChIKey: XXSMGPRMXLTPCZ-UHFFFAOYSA-N

InChI: InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
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