小分子和化合物库

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显示第112个,产品总数158

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  1. 双氢麦角胺甲磺酸盐
    CAS号 : 6190-39-2        Compound CID : 71171
    分子式: C33H37N5O5·CH4O3S        分子量: 679.79
    IUPAC Name: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
    SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
    InChIKey: ADYPXRFPBQGGAH-UMYZUSPBSA-N
    InChI: InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1
  2. 依克立达
    CAS号 : 143664-11-3        Compound CID : 119373
    分子式: C34H33N3O5        分子量: 563.64
    IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide
    SMILES: COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC
    InChIKey: OSFCMRGOZNQUSW-UHFFFAOYSA-N
    InChI: InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)
  3. 5-羟基色胺
    CAS号 : 50-67-9        Compound CID : 5202
    分子式: C10H12N2O        分子量: 176.22
    IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol
    SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
    InChIKey: QZAYGJVTTNCVMB-UHFFFAOYSA-N
    InChI: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
  4. 乙酰化EGCG
      规格或纯度 :
    • ≥98%
    CAS号 : 148707-39-5        Compound CID : 11787645
    分子式: C38H34O19        分子量: 794.67
    IUPAC Name: [(2R,3R)-5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-triacetyloxybenzoate
    SMILES: CC(=O)OC1=CC2=C(CC(C(O2)C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4=CC(=C(C(=C4)OC(=O)C)OC(=O)C)OC(=O)C)C(=C1)OC(=O)C
    InChIKey: SVHJCTSSYQPWEV-VSJLXWSYSA-N
    InChI: InChI=1S/C38H34O19/c1-16(39)48-26-13-28(49-17(2)40)27-15-34(57-38(47)25-11-32(52-20(5)43)37(55-23(8)46)33(12-25)53-21(6)44)35(56-29(27)14-26)24-9-30(50-18(3)41)36(54-22(7)45)31(10-24)51-19(4)42/h9-14,34-35H,15H2,1-8H3/t34-,35-/m1/s1
  5. GR 46611,5-HT 1B / 1D激动剂
      规格或纯度 :
    • ≥97%
    CAS号 : 185259-85-2        Compound CID : 6160690
    分子式: C23H27N3O2        分子量: 377.49
    IUPAC Name: (E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
    SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)OC
    InChIKey: LBVZWEWTNUDWNS-YRNVUSSQSA-N
    InChI: InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+
  6. PNU 142633,5-HT1激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 187665-65-2        Compound CID : 9845148
    分子式: C24H30N4O3        分子量: 422.53
    IUPAC Name: (1S)-1-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
    SMILES: CNC(=O)C1=CC2=C(C=C1)C(OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)C(=O)N
    InChIKey: PNTVCCRNJOGKGA-QFIPXVFZSA-N
    InChI: InChI=1S/C24H30N4O3/c1-26-24(30)19-4-7-21-18(16-19)9-15-31-22(21)8-10-27-11-13-28(14-12-27)20-5-2-17(3-6-20)23(25)29/h2-7,16,22H,8-15H2,1H3,(H2,25,29)(H,26,30)/t22-/m0/s1
  7. Elacridar盐酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 143851-98-3        Compound CID : 170320
    分子式: C34H33N3O5·HCl        分子量: 600.1
    IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide;hydrochloride
    SMILES: COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC.Cl
    InChIKey: IQOJZZHRYSSFJM-UHFFFAOYSA-N
    InChI: InChI=1S/C34H33N3O5.ClH/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37;/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38);1H
  8. (S)-普罗帕酮
    CAS号 : 107381-32-8        Compound CID : 184820
    分子式: C21H27NO3        分子量: 341.44
    IUPAC Name: 1-[2-[(2S)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
    SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
    InChIKey: JWHAUXFOSRPERK-SFHVURJKSA-N
    InChI: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m0/s1
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