Drug Metabolite

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  1. Molsidomine
    CAS: 25717-80-0 EC Number: 247-207-4 Formula: C9H14N4O4 Molecular Weight: 242.24
    ● In Stock — US warehouse, ships to EU* Item #: M157860
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    IUPAC Name
    (1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate
    SMILES
    CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-]
    InChIKey
    XLFWDASMENKTKL-UHFFFAOYSA-N
    InChI
    1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3
    Synonyms
    HMS2235B12 | NCGC00015661-08 | AKOS026749793 | MLS000028573 | Corvaton | DB09282 | NCGC00015661-03 | s4664 | 1-Propan...
  2. Monoethyl phthalate
    CAS: 2306-33-4 Formula: C10H10O4 Molecular Weight: 194.18
    ● In Stock — US warehouse, ships to EU* Item #: M301456
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    IUPAC Name
    2-ethoxycarbonylbenzoic acid
    SMILES
    CCOC(=O)C1=CC=CC=C1C(=O)O
    InChIKey
    YWWHKOHZGJFMIE-UHFFFAOYSA-N
    InChI
    1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
    Synonyms
    CHEBI:70973 | mEtP | ETHYL PHTHALATE MONO | FT-0672476 | J-509306 | Bromuro de distigmina | Propane-1,3-dimethanesulf...
  3. Hydroxy itraconazole(R-63373)
    CAS: 112559-91-8 Formula: C35H38Cl2N8O5 Molecular Weight: 721.63
    Solid ≥97%
    ◐ .Made to order · 8–12 wks Item #: H352313
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    IUPAC Name
    4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3-hydroxybutan-2-yl)-1,2,4show more
    SMILES
    CC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
    InChIKey
    ISJVOEOJQLKSJU-UHFFFAOYSA-N
    InChI
    1S/C35H38Cl2N8O5/c1-24(25(2)46)45-34(47)44(23-40-45)29-6-4-27(5-7-29)41-13-15-42(16-14-41)28-8-10-30(11-9-28)48-18-31-19-49-35(50-31,20-43-22-38-21-39show more
    Synonyms
    A894570 | 4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-pip...
  4. Trimethylamine N-Oxide(TMANO)
    CAS: 1184-78-7 EC Number: 214-675-6 PubChem CID: 1145 Formula: C3H9NO Molecular Weight: 75.11
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%(T)
    ● In Stock — US warehouse, ships to EU* Item #: T162064
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    IUPAC Name
    N,N-dimethylmethanamine oxide
    SMILES
    C[N+](C)(C)[O-]
    InChIKey
    UYPYRKYUKCHHIB-UHFFFAOYSA-N
    InChI
    1S/C3H9NO/c1-4(2,3)5/h1-3H3
    Synonyms
    Trimethylamine oxide | NSC 408426 | MFCD00002048 | Trimethlamine-N-oxide | Triox | CHEBI:15724 | EN300-396337 | Trime...
  5. N-Acetyl-4-benzoquinone Imine, Activator of TRPA1
    CAS: 50700-49-7 Formula: C8H7NO2 Molecular Weight: 149.147
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥90%
    ◐ .Made to order · 8–12 wks Item #: N135163
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    IUPAC Name
    N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
    SMILES
    CC(=O)N=C1C=CC(=O)C=C1
    InChIKey
    URNSECGXFRDEDC-UHFFFAOYSA-N
    InChI
    1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3
    Synonyms
    CCRIS 5789 | MS-22843 | N-(4-Oxo-2,5-cyclohexadien-1-ylidene)acetamide | 1,4-BENZODIAZEPIN-3-ONE | BRN 2435621 | GTPL...
  6. Oxypurinol, Xanthine dehydrogenase inhibitor
    CAS: 2465-59-0 Formula: C5H4N4O2 Molecular Weight: 152.11
    ● In Stock — US warehouse, ships to EU* Item #: O168987
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    IUPAC Name
    1,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
    SMILES
    C1=NNC2=C1C(=O)NC(=O)N2
    InChIKey
    HXNFUBHNUDHIGC-UHFFFAOYSA-N
    InChI
    1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
    Synonyms
    (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S)-3-hydroxy-2-phenylpropanoate | Alloxanthin (V...
  7. Lansoprazole sulfone
    CAS: 131926-99-3 Formula: C16H14F3N3O3S Molecular Weight: 385.36
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: L132228
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    IUPAC Name
    2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]-1H-benzimidazole
    SMILES
    CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
    InChIKey
    TVMJMCGRSSSSDJ-UHFFFAOYSA-N
    InChI
    1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
    Synonyms
    2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfonyl)-1H-benzo[d]imidazole | AKOS000163634 | 2-[[3-met...
  8. N-Methylanthranilic Acid
    CAS: 119-68-6 EC Number: 204-343-9 Formula: C8H9NO2 Molecular Weight: 151.17
    Solid ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: N159471
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    Technical Identifiers
    IUPAC Name
    2-(methylamino)benzoic acid
    SMILES
    CNC1=CC=CC=C1C(=O)O
    InChIKey
    WVMBPWMAQDVZCM-UHFFFAOYSA-N
    InChI
    1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
    Synonyms
    F1943-0106 | FT-0708874 | AI3-05924 | BSPBio_002365 | KBioGR_002073 | MFCD00002424 | Oprea1_531375 | AMY202100011 | S...
  9. Nortriptyline Hydrochloride, Norepinephrine transporter inhibitor
    CAS: 894-71-3 EC Number: 212-973-0 Formula: C19H21N · HCl Molecular Weight: 299.84
    Solid ≥98%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: N136755
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    IUPAC Name
    N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochloride
    SMILES
    CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
    InChIKey
    SHAYBENGXDALFF-UHFFFAOYSA-N
    InChI
    1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H
    Synonyms
    Altilev | Nortriptyline (hydrochloride) | Tox21_110048 | Nortriptyline hydrochloride (USAN:USP:JAN) | NSC78248 | NSC-...
  10. Pantoprazole Sulfide
    CAS: 102625-64-9 Formula: C16H15F2N3O3S Molecular Weight: 367.37
    ● In Stock — US warehouse, ships to EU* Item #: D134782
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    IUPAC Name
    6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1H-benzimidazole
    SMILES
    COC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)OC(F)F)OC
    InChIKey
    UKILEIRWOYBGEJ-UHFFFAOYSA-N
    InChI
    1S/C16H15F2N3O3S/c1-22-13-5-6-19-12(14(13)23-2)8-25-16-20-10-4-3-9(24-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
    Synonyms
    5-Difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl) methyl]thio-1H-benzimidazole | 5-difluoromethoxy-2-[[(3,4-dimethoxy-...
  11. Phthalaldehydic Acid
    CAS: 119-67-5 EC Number: 204-342-3 PubChem CID: 8406 Formula: C8H6O3 Molecular Weight: 150.13
    ● In Stock — Germany Item #: P160758
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    IUPAC Name
    2-formylbenzoic acid
    SMILES
    C1=CC=C(C(=C1)C=O)C(=O)O
    InChIKey
    DYNFCHNNOHNJFG-UHFFFAOYSA-N
    InChI
    1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)
    Synonyms
    2-Carboxybenzaldehyde | OAEGSO7G3Y | SCHEMBL78873 | 2-Formylbenzoic acid | 2-formyl-benzoic acid | F2191-0166 | NSC50...
  12. 7-Ethyl-10-hydroxycamptothecin
    CAS: 86639-52-3 EC Number: 643-093-9 Formula: C22H20N2O5 Molecular Weight: 392.4
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: E110128
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    IUPAC Name
    (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
    SMILES
    CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)O
    InChIKey
    FJHBVJOVLFPMQE-QFIPXVFZSA-N
    InChI
    1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1
    Synonyms
    UNII-0H43101T0J | BCP9000200 | 0H43101T0J | BP-24513 | CAMPTOTHECIN, 7-ETHYL-10-HYDROXY- | SN 38 lactone | AC-1357 | ...
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What can I find under Drug Metabolite?
This listing collects compounds associated with Drug Metabolite within our Metabolic Enzyme/Protease area — inhibitors, agonists or antagonists, and reference tool compounds. Each entry links to its structure, CAS number, and reported activity so you can confirm the annotation before ordering.
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Consider the reported potency of each Drug Metabolite compound and the assay behind it, selectivity against closely related targets, cell permeability if you are working in cells, and stability in your buffer. Two chemically distinct compounds giving the same phenotype is much stronger evidence than one.
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Each Drug Metabolite product page lists purity, identity data, molecular formula and weight, and storage conditions, with a lot-specific Certificate of Analysis available. Solubility and handling notes are on the datasheet. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
Can I search Drug Metabolite compounds by activity or structure?
Yes. Filter the Drug Metabolite listing by mechanism — inhibitor, agonist, antagonist — and search by target name or gene symbol, CAS number, molecular formula, or SMILES to reach exact structures and close analogs. For bulk quantities or items not listed, contact [email protected].

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