小分子和化合物库

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显示第112个,产品总数66

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  1. 西咪替丁
    CAS号 : 51481-61-9        Compound CID : 2756
    分子式: C10H16N6S        分子量: 252.34
    IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
    SMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#N
    InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N
    InChI: InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
  2. 阿魏酸
    CAS号 : 1135-24-6        Compound CID : 445858
    分子式: C10H10O4        分子量: 194.18
    IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
    SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
    InChIKey: KSEBMYQBYZTDHS-HWKANZROSA-N
    InChI: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
  3. 阿魏酸
    CAS号 : 1135-24-6        Compound CID : 445858
    分子式: C10H10O4        分子量: 194.18
    IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
    SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
    InChIKey: KSEBMYQBYZTDHS-HWKANZROSA-N
    InChI: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
  4. 组胺
    CAS号 : 51-45-6        Compound CID : 774
    分子式: C5H9N3        分子量: 111.15
    IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine
    SMILES: C1=C(NC=N1)CCN
    InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N
    InChI: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
  5. 多巴胺
    CAS号 : 51-61-6        Compound CID : 681
    分子式: C8H11NO2        分子量: 153.18
    IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol
    SMILES: C1=CC(=C(C=C1CCN)O)O
    InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N
    InChI: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
  6. 多巴胺
    CAS号 : 51-61-6        Compound CID : 681
    分子式: C8H11NO2        分子量: 153.18
    IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol
    SMILES: C1=CC(=C(C=C1CCN)O)O
    InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N
    InChI: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
  7. Anle138b,寡聚聚集抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 882697-00-9        Compound CID : 44608289
    分子式: C16H11BrN2O2        分子量: 343.18
    IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(3-bromophenyl)-1H-pyrazole
    SMILES: C1OC2=C(O1)C=C(C=C2)C3=CC(=NN3)C4=CC(=CC=C4)Br
    InChIKey: RCQIIBJSUWYYFU-UHFFFAOYSA-N
    InChI: InChI=1S/C16H11BrN2O2/c17-12-3-1-2-10(6-12)13-8-14(19-18-13)11-4-5-15-16(7-11)21-9-20-15/h1-8H,9H2,(H,18,19)
  8. N-去甲基洛哌丁胺
      规格或纯度 :
    • ≥98%
    CAS号 : 66164-07-6        Compound CID : 9805944
    分子式: C28H31ClN2O2        分子量: 463.01
    IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamide
    SMILES: CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4
    InChIKey: ZMOPTLXEYOVARP-UHFFFAOYSA-N
    InChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
  9. 舒洛地尔
      规格或纯度 :
    • ≥95%
    CAS号 : 54767-75-8        Compound CID : 657255
    分子式: C20H35NOS        分子量: 337.56
    IUPAC Name: (1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
    SMILES: CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)O
    InChIKey: BFCDFTHTSVTWOG-YLJYHZDGSA-N
    InChI: InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
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