小分子和化合物库

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显示第112个,产品总数42

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  1. 丹参素钠
    CAS号 : 67920-52-9        Compound CID : 23711819
    分子式: C9H9NaO5        分子量: 220.15
    IUPAC Name: sodium;3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
    SMILES: C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+]
    InChIKey: ZMMKVDBZTXUHFO-UHFFFAOYSA-M
    InChI: InChI=1S/C9H10O5.Na/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14;/h1-3,8,10-12H,4H2,(H,13,14);/q;+1/p-1
  2. 去氢胆酸
      规格或纯度 :
    • ≥98.5%
    CAS号 : 81-23-2        Compound CID : 6674
    分子式: C24H34O5        分子量: 402.52
    IUPAC Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
    SMILES: CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C
    InChIKey: OHXPGWPVLFPUSM-KLRNGDHRSA-N
    InChI: InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
  3. 硫酸阿托品一水合物
      规格或纯度 :
    • ≥98.5%
    CAS号 : 5908-99-6        Compound CID : 656678
    分子式: C34H46N2O6.H2SO4.H2O        分子量: 694.83
    IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrate
    SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
    InChIKey: JPKKQJKQTPNWTR-BRYCGAMXSA-N
    InChI: InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2/t2*13-,14+,15?,16?;;
  4. L-[1-13C]葡萄糖
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 478519-02-7        Compound CID : 90472761
    分子式: C513CH12O6        分子量: 181.15
    IUPAC Name: (3S,4R,5R,6S)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrol
    SMILES: C(C1C(C(C(C(O1)O)O)O)O)O
    InChIKey: WQZGKKKJIJFFOK-WIZIAPGRSA-N
    InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1/i6+1
  5. 乙酰胆碱-d9氯化物
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 344298-95-9        Compound CID : 45038081
    分子式: C7H7D9ClNO2        分子量: 190.72
    IUPAC Name: 2-acetyloxyethyl-tris(trideuteriomethyl)azanium;chloride
    SMILES: CC(=O)OCC[N+](C)(C)C.[Cl-]
    InChIKey: JUGOREOARAHOCO-WWMMTMLWSA-M
    InChI: InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1/i2D3,3D3,4D3;
  6. 富马酸13C4
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 201595-62-2        Compound CID : 71309144
    分子式: 13C4H4O4        分子量: 120.04
    IUPAC Name: (E)-(1,2,3,4-13C4)but-2-enedioic acid
    SMILES: C(=CC(=O)O)C(=O)O
    InChIKey: VZCYOOQTPOCHFL-BHBLSLFXSA-N
    InChI: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1+1,2+1,3+1,4+1
  7. L-丙氨酸
    CAS号 : 56-41-7       
    分子式: C3H7NO2        分子量: 89.09
    IUPAC Name: (2S)-2-aminopropanoic acid
    SMILES: CC(C(=O)O)N
    InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N
    InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
  8. N-乙酰-L-半胱氨酸
    CAS号 : 616-91-1        Compound CID : 12035
    分子式: C5H9NO3S        分子量: 163.19
    IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid
    SMILES: CC(=O)N[C@@H](CS)C(O)=O
    InChIKey: PWKSKIMOESPYIA-BYPYZUCNSA-N
    InChI: InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
  9. 柠檬酸铵
      规格或纯度 :
    • AR
    • ≥98.5%
    CAS号 : 3458-72-8        Compound CID : 18954
    分子式: C6H17N3O7        分子量: 243.22
    IUPAC Name: triazanium;2-hydroxypropane-1,2,3-tricarboxylate
    SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+]
    InChIKey: YWYZEGXAUVWDED-UHFFFAOYSA-N
    InChI: InChI=1S/C6H8O7.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3
  10. N-乙酰-L-蛋氨酸(NAM)
      规格或纯度 :
    • ≥98.5%
    CAS号 : 65-82-7        Compound CID : 448580
    分子式: C7H13NO3S        分子量: 191.25
    IUPAC Name: (2S)-2-acetamido-4-methylsulfanylbutanoic acid
    SMILES: CC(=O)NC(CCSC)C(=O)O
    InChIKey: XUYPXLNMDZIRQH-LURJTMIESA-N
    InChI: InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
  11. L-精氨酸盐酸盐
    CAS号 : 1119-34-2        Compound CID : 66250
    分子式: C6H14N4O2·HCl        分子量: 210.66
    IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
    SMILES: Cl[H].N[C@@H](CCCNC(N)=N)C(O)=O
    InChIKey: KWTQSFXGGICVPE-WCCKRBBISA-N
    InChI: InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1
  12. DL-苦杏仁酸
    CAS号 : 90-64-2        Compound CID : 1292
    分子式: C8H8O3        分子量: 152.15
    IUPAC Name: 2-hydroxy-2-phenylacetic acid
    SMILES: C1=CC=C(C=C1)C(C(=O)O)O
    InChIKey: IWYDHOAUDWTVEP-UHFFFAOYSA-N
    InChI: InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
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