WHO基本药物配体 - 小分子和化合物库

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达沙替尼
- ≥99%
CAS号: 302962-49-8 EC号: 801-607-0

分子式: C₂₂H₂₆ClN₇O₂S 分子量: 488.01

IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO

InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N

InChI: 1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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雷尼替丁
- ≥98%
CAS号: 66357-35-5 Compound CID : 3001055

分子式: C₁₃H₂₂N₄O₃S 分子量: 314.39

IUPAC Name: (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine

SMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C

InChIKey: VMXUWOKSQNHOCA-UKTHLTGXSA-N

InChI: 1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
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收藏夹比较
雷尼替丁
- 10mM in DMSO
CAS号: 66357-35-5 Compound CID : 3001055

分子式: C₁₃H₂₂N₄O₃S 分子量: 314.39

IUPAC Name: (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine

SMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C

InChIKey: VMXUWOKSQNHOCA-UKTHLTGXSA-N

InChI: 1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
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