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. calcitriol, Agonist of Vitamin D receptor
    Cas#: 32222-06-3        Compound CID:  5280453
    Formula:  C27H44O3        Molecular Weight: 416.64
    IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
    SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
    InChIKey: GMRQFYUYWCNGIN-NKMMMXOESA-N
    InChI: InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
    Synonyms: (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol | CALCITRIOL [MART.] | DTXSID5022722 | Calcitriol (JAN...
  3. (±)-3-Hydroxydecanoic acid, Agonist of GPR84
      Grade & Purity: 
    • ≥98%
    Cas#: 5561-87-5        Compound CID:  26612
    Formula:  C10H20O3        Molecular Weight: 188.26
    IUPAC Name: 3-hydroxydecanoic acid
    SMILES: CCCCCCCC(CC(=O)O)O
    InChIKey: FYSSBMZUBSBFJL-UHFFFAOYSA-N
    InChI: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
    Synonyms: (+/-)-3-Hydroxydecanoic acid | (+/-)-3-Hydroxy-decanoic Acid | AKOS011680873 | 3-OH-C10 | A74EFF12-378B-4657-9726-F37...
  4. 2-Hydroxydecanoic acid , Agonist of GPR84
    Cas#: 5393-81-7        Compound CID:  21488
    Formula:  C10H20O3        Molecular Weight: 188.27
    IUPAC Name: 2-hydroxydecanoic acid
    SMILES: CCCCCCCCC(C(=O)O)O
    InChIKey: GHPVDCPCKSNJDR-UHFFFAOYSA-N
    InChI: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
    Synonyms: (+/-)-2-Hydroxydecanoic acid | 2-Hydroxycapric acid | 2-HYDROXYDECANOIC ACID | 2-hydroxy-decanoic acid | DL-2-HYDROXY...
  5. 2-Hydroxydodecanoic acid, Agonist of GPR84
    Cas#: 2984-55-6        Compound CID:  97783
    Formula:  C12H24O3        Molecular Weight: 216.32
    IUPAC Name: 2-hydroxydodecanoic acid
    SMILES: CCCCCCCCCCC(C(=O)O)O
    InChIKey: YDZIJQXINJLRLL-UHFFFAOYSA-N
    InChI: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
    Synonyms: 2-OH-C12 | Dodecanoic acid,2-hydroxy- | YDZIJQXINJLRLL-UHFFFAOYSA-N | 2-Hydroxydodecanoic acid | CAA98455 | DL-2-HYDR...
  6. 3-Hydroxydodecanoic acid, Agonist of GPR84
    Cas#: 1883-13-2        Compound CID:  94216
    Formula:  C12H24O3        Molecular Weight: 216.32
    IUPAC Name: 3-hydroxydodecanoic acid
    SMILES: CCCCCCCCCC(CC(=O)O)O
    InChIKey: MUCMKTPAZLSKTL-UHFFFAOYSA-N
    InChI: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
    Synonyms: 3-OH lauric acid | beta-Hydroxylauric acid | beta-OH dodecanoic acid | 3-(R)-Hydroxydodecanoic acid | DL-beta-Hydroxy...
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