Approved Ligands

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  1. Furosemide, Sodium-(potassium)-chloride cotransporter 2 inhibitor
    Cas#: 54-31-9        Compound CID:  3440
    Formula:  C12H11ClN2O5S        Molecular Weight: 330.74
    IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid
    SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
    InChIKey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N
    InChI: InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
    Synonyms: Diuzol | Furomen | Lasix | Radisemide | Salix | Urosemide | Furosan | Furose | Aldalix | Endural | Diural | Diurin | ...
  2. Metyrapone
      Grade & Purity: 
    • ≥98%
    Cas#: 54-36-4        Compound CID:  4174
    Formula:  C14H14N2O        Molecular Weight: 226.27
    IUPAC Name: 2-methyl-1,2-dipyridin-3-ylpropan-1-one
    SMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2
    InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-N
    InChI: InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
    Synonyms: AMY832 | Metopiron | METOPIRONE (TN) | METYRAPONE [INN] | Metroprione | Methopyrinine | metyrapone | Tox21_110323_1 |...
  3. Bumetanide, Sodium-(potassium)-chloride cotransporter 2 inhibitor
    Cas#: 28395-03-1        Compound CID:  2471
    Formula:  C17H20N2O5S        Molecular Weight: 364.42
    IUPAC Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid
    SMILES: CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2
    InChIKey: MAEIEVLCKWDQJH-UHFFFAOYSA-N
    InChI: InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
    Synonyms: BUMETANIDE [EP IMPURITY] | KBio1_000034 | BUMETANIDE [EP MONOGRAPH] | BENZOIC ACID, 3-(BUTYLAMINO)-4-PHENOXY-5-SULFAM...
  4. Fadrozole (CGS16949A), Inhibitor of CYP11B1;Inhibitor of CYP11B2;Inhibitor of CYP19A1
    Cas#: 102676-47-1        Compound CID:  59693
    Formula:  C14H13N3        Molecular Weight: 223.27
    IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
    SMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N
    InChIKey: CLPFFLWZZBQMAO-UHFFFAOYSA-N
    InChI: InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
    Synonyms: (Rac)-FAD286 | CGS 16949A free base
  5. Metyrapone
      Grade & Purity: 
    • 10mM in DMSO
    Cas#: 54-36-4        Compound CID:  4174
    Formula:  C14H14N2O        Molecular Weight: 226.27
    IUPAC Name: 2-methyl-1,2-dipyridin-3-ylpropan-1-one
    SMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2
    InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-N
    InChI: InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
    Synonyms: metyrapone|54-36-4|2-Methyl-1,2-di-3-pyridyl-1-propanone|Metopirone|Methopyrapone|Metopiron|Methapyrapone|Methopirapo...
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