小分子和化合物库

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显示第3748个,产品总数5,074

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  1. 紫杉醇
    CAS号: 33069-62-4
    分子式: C47H51NO14        分子量: 853.91
    IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-See more
    SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
    InChIKey: RCINICONZNJXQF-MZXODVADSA-N
    InChI: 1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(See more
  2. 帕拉米韦三水合物
      规格或纯度 :
    • ≥99%
    CAS号: 1041434-82-5
    分子式: C15H28N4O4·3H2O        分子量: 382.45
    IUPAC Name: (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;trihydrate
    SMILES: CCC(CC)C(C1C(CC(C1O)C(=O)O)N=C(N)N)NC(=O)C.O.O.O
    InChIKey: RFUCJKFZFXNIGB-ZBBHRWOZSA-N
    InChI: 1S/C15H28N4O4.3H2O/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23;;;/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19);3*1H2/t9-,10+,11+,12-,13+;;;/m0.../s1
  3. 甲磺酸培氟沙星
      规格或纯度 :
    • ≥99%
    CAS号: 70458-95-6
    分子式: C17H20FN3O3·CH4O3S        分子量: 429.46
    IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
    SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O
    InChIKey: HQQSBEDKMRHYME-UHFFFAOYSA-N
    InChI: 1S/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)
  4. 苯噻啶苹果酸盐
      规格或纯度 :
    • ≥99%
    CAS号: 5189-11-7
    分子式: C19H21NS.C4H6O5        分子量: 429.53
    IUPAC Name: 2-hydroxybutanedioic acid;1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
    SMILES: CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1.C(C(C(=O)O)O)C(=O)O
    InChIKey: IWAWCPZVTXCFKD-UHFFFAOYSA-N
    InChI: 1S/C19H21NS.C4H6O5/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18;5-2(4(8)9)1-3(6)7/h2-5,10,13H,6-9,11-12H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)
  5. 甲磺酸培高利特
      规格或纯度 :
    • ≥99%
    CAS号: 66104-23-2        Compound CID : 47812
    分子式: C19H26N2S·CH4O3S        分子量: 410.59
    IUPAC Name: (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
    SMILES: CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O
    InChIKey: UWCVGPLTGZWHGS-ZORIOUSZSA-N
    InChI: 1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1
  6. 培美曲塞二钠
      规格或纯度 :
    • ≥99%
    CAS号: 150399-23-8
    分子式: C20H19N5Na2O6        分子量: 471.37
    IUPAC Name: disodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
    SMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
    InChIKey: NYDXNILOWQXUOF-GXKRWWSZSA-L
    InChI: 1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13See more
  7. 普卡必利
    CAS号: 179474-81-8
    分子式: C18H26ClN3O3        分子量: 367.87
    IUPAC Name: 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
    SMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl
    InChIKey: ZPMNHBXQOOVQJL-UHFFFAOYSA-N
    InChI: 1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
  8. 培美曲塞二钠水合物
      规格或纯度 :
    • ≥99%
    CAS号: 357166-30-4        EC号: 604-733-2, 814-356-7        Compound CID : 135564527
    分子式: C20H21N5O6·5/2H2O·2Na        分子量: 516.42
    IUPAC Name: tetrasodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;pentahydrate
    SMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
    InChIKey: ZCTCZKWJFTYNMZ-WKUCUCPSSA-J
    InChI: 1S/2C20H21N5O6.4Na.5H2O/c2*21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;;;;;;;;/h2*1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)See more
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