Metabolites

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  1. RepSox
      Grade & Purity: 
    • ≥98%
    Cas#: 446859-33-2        Compound CID:  449054
    Formula:  C17H13N5        Molecular Weight: 287.32
    IUPAC Name: 2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine
    SMILES: CC1=NC(=CC=C1)C2=C(C=NN2)C3=NC4=C(C=C3)N=CC=C4
    InChIKey: LBPKYPYHDKKRFS-UHFFFAOYSA-N
    InChI: InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
    Synonyms: ALK5 Inhibitor II | 2-(3-(6-methyl-2-pyridinyl)-1h-pyrazol-4-yl)-1,5-naphthyridine | DTXSID80332295 | AKOS016009677 |...
  2. Ethinyl Estradiol, Estrogen receptor alpha agonist
    Cas#: 57-63-6        Compound CID:  5991
    Formula:  C20H24O2        Molecular Weight: 296.4
    IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
    SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
    InChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-N
    InChI: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
    Synonyms: Ethinylestradiol (Standard) | Ethynyloestradiol | Estigyn | 17-Ethinylestradiol | CHEBI:4903 | Ethinyl Estradiol [USP...
  3. Diethylstilbestrol, Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen-related receptor-α;Antagonist of Estrogen-related receptor-β;Antagonist of Estrogen-related receptor-γ
    Cas#: 56-53-1        Compound CID:  448537
    Formula:  C18H20O2        Molecular Weight: 268.35
    IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
    SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
    InChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
    Synonyms: DES | 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | Diethylstilbesterol | Makarol | Stilbofolin | 4,4'-(Hex-3-ene...
  4. 4-(2-Aminoethyl)benzene-1,2-diol, Agonist of D 1 receptor;Agonist of D 2 receptor;Agonist of D 3 receptor;Agonist of D 4 receptor;Agonist of D 5 receptor
    Cas#: 51-61-6        Compound CID:  681
    Formula:  C8H11NO2        Molecular Weight: 153.18
    IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol
    SMILES: C1=CC(=C(C=C1CCN)O)O
    InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N
    InChI: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
    Synonyms: dopamine | 3-Hydroxytyramine | Oxytyramine
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