Drug Metabolite

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  1. Cyclo(Tyr-Val)
    CAS: 21754-25-6 Formula: C14H18N2O3 Molecular Weight: 262.3
    ◐ .Made to order · 8–12 wks Item #: C1227005
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    IUPAC Name
    3-[(4-hydroxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
    SMILES
    CC(C)C1C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O
    InChIKey
    LMDVFSHGYANGRP-UHFFFAOYSA-N
    InChI
    1S/C14H18N2O3/c1-8(2)12-14(19)15-11(13(18)16-12)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7H2,1-2H3,(H,15,19)(H,16,18)
  2. Des(methylpiperazinyl-N-methyl) Imatinib Dimer Impurity
    CAS: 1365802-18-1 PubChem CID: 71315751 Formula: C52H48N12O2 Molecular Weight: 873.02
    ◐ .Made to order · 8–12 wks Item #: D1057847
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    IUPAC Name
    N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[[4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]show more
    SMILES
    CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)C)NC6=NC=CC(=N6)C7=CN=CC=C7)NC8=NC=CC(=N8)C9=CN=CC=C9
    InChIKey
    DZHKYOWYCVBDPW-UHFFFAOYSA-N
    InChI
    1S/C52H48N12O2/c1-35-7-17-43(29-47(35)61-51-55-23-19-45(59-51)41-5-3-21-53-31-41)57-49(65)39-13-9-37(10-14-39)33-63-25-27-64(28-26-63)34-38-11-15-40(1show more
  3. Desmethylnortriptyline
    CAS: 4444-42-2 PubChem CID: 160755 Formula: C18H19N Molecular Weight: 249.35
    ◐ .Made to order · 8–12 wks Item #: D1343597
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    IUPAC Name
    3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
    SMILES
    C1CC2=CC=CC=C2C(=CCCN)C3=CC=CC=C31
    InChIKey
    PTQFRALDEONNOA-UHFFFAOYSA-N
    InChI
    1S/C18H19N/c19-13-5-10-18-16-8-3-1-6-14(16)11-12-15-7-2-4-9-17(15)18/h1-4,6-10H,5,11-13,19H2
  4. Clofibric-d4 Acid
    CAS: 1184991-14-7 PubChem CID: 57369444 Formula: C10H7D4ClO3 Molecular Weight: 218.67
    ◐ .Made to order · 8–12 wks Item #: C989186
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    IUPAC Name
    2-(4-chloro-2,3,5,6-tetradeuteriophenoxy)-2-methylpropanoic acid
    SMILES
    CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl
    InChIKey
    TXCGAZHTZHNUAI-LNFUJOGGSA-N
    InChI
    1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)/i3D,4D,5D,6D
  5. Delta(4)-dafachronic acid
    CAS: 23017-97-2 Formula: C27H42O3 Molecular Weight: 414.6
    ◐ .Made to order · 8–12 wks Item #: D1312923
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    IUPAC Name
    (6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
    SMILES
    C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
    InChIKey
    PSXQJZDFWDKBIP-NNWQCNCGSA-N
    InChI
    1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18show more
  6. Homobaldrinal
    CAS: 67910-07-0 PubChem CID: 49999
    ◐ .Made to order · 8–12 wks Item #: H1065936
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    IUPAC Name
    (7-formylcyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate
    SMILES
    CC(C)CC(=O)OCC1=COC=C2C1=CC=C2C=O
    InChIKey
    LTVSLKWNAZKBEX-UHFFFAOYSA-N
    InChI
    1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3
  7. Hydroxy Desmethyl Bosentan
    CAS: 253688-62-9 PubChem CID: 6426757
    ◐ .Made to order · 8–12 wks Item #: H1055776
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    IUPAC Name
    N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
    SMILES
    CC(C)(CO)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4O
    InChIKey
    JXXCMZWROOURSZ-UHFFFAOYSA-N
    InChI
    1S/C26H27N5O7S/c1-26(2,16-33)17-8-10-18(11-9-17)39(35,36)31-22-21(38-20-7-4-3-6-19(20)34)25(37-15-14-32)30-24(29-22)23-27-12-5-13-28-23/h3-13,32-34H,1show more
  8. Homomangiferin
    CAS: 21794-66-1 PubChem CID: 5491388
    ◐ .Made to order · 8–12 wks Item #: H970118
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    IUPAC Name
    1,6,7-trihydroxy-3-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
    SMILES
    COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)C4C(C(C(C(O4)CO)O)O)O
    InChIKey
    HDPSXKXQSOVYLL-PQSJUMPYSA-N
    InChI
    1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3/t12-,16-,show more
  9. N-Methyl Palbociclib
    CAS: 571189-51-0 PubChem CID: 5330298
    ◐ .Made to order · 8–12 wks Item #: N1298228
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    IUPAC Name
    6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
    SMILES
    CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C)C5CCCC5)C(=O)C
    InChIKey
    PBSZUBKCQUPZFE-UHFFFAOYSA-N
    InChI
    1S/C25H31N7O2/c1-16-20-15-27-25(28-21-9-8-19(14-26-21)31-12-10-30(3)11-13-31)29-23(20)32(18-6-4-5-7-18)24(34)22(16)17(2)33/h8-9,14-15,18H,4-7,10-13H2,show more
  10. Sorafenib N-Oxide
    CAS: 583840-03-3 PubChem CID: 9826472 Formula: C21H16ClF3N4O4 Molecular Weight: 480.82
    ◐ .Made to order · 8–12 wks Item #: S1039097
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    IUPAC Name
    4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide
    SMILES
    CNC(=O)C1=[N+](C=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[O-]
    InChIKey
    BQAZCCVUZDIZDC-UHFFFAOYSA-N
    InChI
    1S/C21H16ClF3N4O4/c1-26-19(30)18-11-15(8-9-29(18)32)33-14-5-2-12(3-6-14)27-20(31)28-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,27,28,31show more
  11. Seco Rapamycin
    CAS: 147438-27-5 PubChem CID: 71772274
    ◐ .Made to order · 8–12 wks Item #: S1009382
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    Technical Identifiers
    IUPAC Name
    (2S)-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxshow more
    SMILES
    CC1CCC(OC1(C(=O)C(=O)N2CCCCC2C(=O)O)O)CC(C(=CC=CC=CC(C)CC(C)C(=O)C(C(C(=CC(C)C(=O)C=CC(C)CC3CCC(C(C3)OC)O)C)O)OC)C)OC
    InChIKey
    ZAVMPSVOEQNVCP-FWSQOCJKSA-N
    InChI
    1S/C51H79NO13/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20show more
  12. (R)-Linezolid
    CAS: 872992-20-6 PubChem CID: 73180 Formula: C16H20FN3O4 Molecular Weight: 337.35
    ◐ .Made to order · 8–12 wks Item #: R1360439
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    IUPAC Name
    N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
    SMILES
    CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
    InChIKey
    TYZROVQLWOKYKF-CYBMUJFWSA-N
    InChI
    1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m1/s1
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Frequently Asked Questions

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.
What should I consider when picking a compound for Drug Metabolite?
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.
What quality information is provided for Drug Metabolite compounds?
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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