小分子和化合物库

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显示第112个,产品总数127

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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. 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
  3. 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+
  4. 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
  5. 卡麦角林
    CAS号 : 81409-90-7        Compound CID : 54746
    分子式: C26H37N5O2        分子量: 451.6
    IUPAC Name: (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
    SMILES: CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C
    InChIKey: KORNTPPJEAJQIU-KJXAQDMKSA-N
    InChI: InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1
  6. CID 16020046
    CAS号 : 834903-43-4        Compound CID : 16020046
    分子式: C25H19N3O4        分子量: 425.44
    IUPAC Name: 4-[4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid
    SMILES: CC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)C(=O)O)C5=CC(=CC=C5)O
    InChIKey: VGUQVYZXABOXCX-UHFFFAOYSA-N
    InChI: InChI=1S/C25H19N3O4/c1-14-5-7-15(8-6-14)21-20-22(27-26-21)24(30)28(18-11-9-16(10-12-18)25(31)32)23(20)17-3-2-4-19(29)13-17/h2-13,23,29H,1H3,(H,26,27)(H,31,32)
  7. 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
  8. 喹硫平
    CAS号 : 111974-69-7(DMSO)        Compound CID : 5002
    分子式: C21H25N3O2S        分子量: 383.51
    IUPAC Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
    SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
    InChIKey: URKOMYMAXPYINW-UHFFFAOYSA-N
    InChI: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
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