小分子和化合物库

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显示第112个,产品总数59

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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. 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)
  3. 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)
  4. 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
  5. 3-氧代-5β-胆烷酸
    CAS号 : 1553-56-6        Compound CID : 5283906
    分子式: C24H38O3        分子量: 374.56
    IUPAC Name: (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
    SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
    InChIKey: KIQFUORWRVZTHT-OPTMKGCMSA-N
    InChI: InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1
  6. Calcipotriol
    CAS号 : 112965-21-6        Compound CID : 5288783
    分子式: C27H40O3        分子量: 412.6
    IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
    SMILES: CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
    InChIKey: LWQQLNNNIPYSNX-UROSTWAQSA-N
    InChI: InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1
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