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Biochemicals

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  1. Ketoconazole, Inhibitor of CYP3A4;Channel blocker of K v1.8
    Cas Number: 65277-42-1        EC Number: 265-667-4
    Formula:  C26H28Cl2N4O4        Molecular Weight: 531.43
    IUPAC Name:  1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
    SMILES:  CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N
    InChI:  InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,2show more
    Synonyms: HMS3678J17 | Ketoconazole (k) | KTZ | MLS002222255 | N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid | NCGC000...
  2. 5'-Adenylic Acid
    Cas Number: 61-19-8
    Formula:  C10H14N5O7P        Molecular Weight: 347.22
    IUPAC Name:  [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    SMILES:  C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
    InChIKey: UDMBCSSLTHHNCD-KQYNXXCUSA-N
    InChI:  InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,1show more
    Synonyms: 5'-AMP | 5'-adenylic acid | Adenosine monophosphate | Muscle adenylate | 8gpb | Monophosphadenine | SCHEMBL5588 | ade...
  3. 5'-Adenylic Acid, Gating inhibitor of TRPM4
    Cas Number: 61-19-8
    Formula:  C10H14N5O7P        Molecular Weight: 347.22
    IUPAC Name:  [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    SMILES:  C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
    InChIKey: UDMBCSSLTHHNCD-KQYNXXCUSA-N
    InChI:  InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,1show more
    Synonyms: 5'-adenylic acid | Adenosine monophosphate | Muscle adenylate | 8gpb | Monophosphadenine | SCHEMBL5588 | adenosine 5'...
  4. 3β-hydroxy-5,24-cholestadiene
    Cas Number: 313-04-2        EC Number: 206-236-2
    Formula:  C27H44O        Molecular Weight: 384.64
    IUPAC Name:  (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    SMILES:  CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
    InChIKey: AVSXSVCZWQODGV-DPAQBDIFSA-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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,show more
    Synonyms: 110798 | AVSXSVCZWQODGV-DPAQBDIFSA-N | F87896 | NSC-226126 | NSC 226126 | 24-Dehydrocholesterol | cholest-5,24-dien-3...
  5. 3β-hydroxy-5,24-cholestadiene, Agonist of Liver X receptor-α;Agonist of Liver X receptor-β
    Cas Number: 313-04-2        EC Number: 206-236-2
    Formula:  C27H44O        Molecular Weight: 384.64
    IUPAC Name:  (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    SMILES:  CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
    InChIKey: AVSXSVCZWQODGV-DPAQBDIFSA-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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,show more
    Synonyms: 110798 | AVSXSVCZWQODGV-DPAQBDIFSA-N | F87896 | NSC-226126 | NSC 226126 | 24-Dehydrocholesterol | cholest-5,24-dien-3...
  6. 5'-Adenylic Acid, Gating inhibitor of TRPM4
    Cas Number: 61-19-8
    Formula:  C10H14N5O7P        Molecular Weight: 347.22
    IUPAC Name:  [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    SMILES:  C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
    InChIKey: UDMBCSSLTHHNCD-KQYNXXCUSA-N
    InChI:  InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,1show more
    Synonyms: 5'-adenylic acid|adenosine 5'-monophosphate|Adenosine monophosphate|adenosine phosphate|61-19-8|adenylic acid|adenosi...
  7. Ketoconazole
    Cas Number: 65277-42-1        EC Number: 265-667-4
    Formula:  C26H28Cl2N4O4        Molecular Weight: 531.43
    IUPAC Name:  1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
    SMILES:  CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N
    InChI:  InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,2show more
    Synonyms: HMS3678J17 | Ketoconazole (k) | KTZ | MLS002222255 | N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid | NCGC000...
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