小分子和化合物库

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5 项目

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  1. 邻苯二甲酸单环己酯-d4
      规格或纯度 :
    • ≥99 atom% D,≥98%
    CAS号 : 1398066-18-6        Compound CID : 131698665
    分子式: C14H12D4O4        分子量: 252.3
    IUPAC Name: 2-cyclohexyloxycarbonyl-3,4,5,6-tetradeuteriobenzoate
    SMILES: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)[O-]
    InChIKey: PMDKYLLIOLFQPO-DOGSKSIHSA-M
    InChI: InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)/p-1/i4D,5D,8D,9D
  2. 硫酸卡那霉素
      规格或纯度 :
    • ≥94%(N)
    • from Streptomyces kanamyceticus
    CAS号 : 25389-94-0        Compound CID : 441374
    分子式: C18H36N4O11·xH2SO4        分子量: 582.58
    IUPAC Name: (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid
    SMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N.OS(=O)(=O)O
    InChIKey: OOYGSFOGFJDDHP-KMCOLRRFSA-N
    InChI: InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1
  3. 盐酸阿米替林-d6
      规格或纯度 :
    • ≥99 atom% D,≥98%
    CAS号 : 203645-63-0        Compound CID : 76974221
    分子式: C20H18D6ClN        分子量: 319.90
    IUPAC Name: 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
    SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
    InChIKey: KFYRPLNVJVHZGT-TXHXQZCNSA-N
    InChI: InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H/i1D3,2D3;
  4. 7-脱氢胆固醇-25,26,26,26,27,27,27-d₇
      规格或纯度 :
    • ≥99 atom% D,≥98%
    CAS号 : 388622-58-0        Compound CID : 70699278
    分子式: C27H37D7O        分子量: 391.68
    IUPAC Name: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
    InChIKey: UCTLRSWJYQTBFZ-UDEPUTHCSA-N
    InChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
  5. 雌酮-2,3,4-¹³C₃溶液
      规格或纯度 :
    • ≥99 atom% D,≥98%
    • 100μg/mL in methanol
    CAS号 : 1241684-29-6        Compound CID : 66995388
    分子式: C1513C3H22O2        分子量: 273.34
    IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
    SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
    InChIKey: DNXHEGUUPJUMQT-JTCDCFKFSA-N
    InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1
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