WHO基本药物配体 - 小分子和化合物库

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舒马曲坦
- ≥98%
CAS号 : 103628-46-2 Compound CID : 5358

分子式: C₁₄H₂₁N₃O₂S 分子量: 295.4

IUPAC Name: 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide

SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C

InChIKey: KQKPFRSPSRPDEB-UHFFFAOYSA-N

InChI: InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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木霉唑啉
- ≥96%
CAS号 : 526-36-3 Compound CID : 5709

分子式: C₁₆H₂₄N₂ 分子量: 244.37

IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole

SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C

InChIKey: HUCJFAOMUPXHDK-UHFFFAOYSA-N

InChI: InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
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收藏夹比较
木霉唑啉
- 10mM in DMSO
CAS号 : 526-36-3 Compound CID : 5709

分子式: C₁₆H₂₄N₂ 分子量: 244.37

IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole

SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C

InChIKey: HUCJFAOMUPXHDK-UHFFFAOYSA-N

InChI: InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
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