Drug Metabolite

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  1. N-desmethylclozapine, Allosteric modulator of M 1 receptor
    CAS: 6104-71-8 EC Number: 636-421-7 Formula: C17H17ClN4 Molecular Weight: 312.8
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: N298816
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    IUPAC Name
    3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
    SMILES
    C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
    InChIKey
    JNNOSTQEZICQQP-UHFFFAOYSA-N
    InChI
    1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
    Synonyms
    BCP30683 | CAS_2820 | GTPL333 | UNII-1I9001LWY8 | BDBM50122054 | BRD-K10042277-001-04-3 | Desmethylclozapine | 3-chlo...
  2. Melamine
    CAS: 108-78-1 EC Number: 203-615-4 Formula: C3H6N6 Molecular Weight: 126.12
    ● In Stock — Germany Item #: M108433
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    IUPAC Name
    1,3,5-triazine-2,4,6-triamine
    SMILES
    C1(=NC(=NC(=N1)N)N)N
    InChIKey
    JDSHMPZPIAZGSV-UHFFFAOYSA-N
    InChI
    1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
    Synonyms
    Triaminotriazine | s-Triazinetriamine | Pluragard | Cyanuric triamide | Yukamelamine | Hicophor PR | Cyanurotriamine ...
  3. Modecainide
    CAS: 81329-71-7 Formula: C22H28N2O3 Molecular Weight: 368.47
    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 #: M333413
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    IUPAC Name
    4-hydroxy-3-methoxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
    SMILES
    CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)O)OC
    InChIKey
    LBYXPDAENJSHDD-UHFFFAOYSA-N
    InChI
    1S/C22H28N2O3/c1-24-14-6-5-8-18(24)12-10-16-7-3-4-9-19(16)23-22(26)17-11-13-20(25)21(15-17)27-2/h3-4,7,9,11,13,15,18,25H,5-6,8,10,12,14H2,1-2H3,(H,23,show more
    Synonyms
    BMY 40327 | Modecainidum [INN-Latin] | BMY-40327 | MJ 14030 | Modecainidum | 3-Methoxy-O-demethylencainide | 4-hydrox...
  4. N-Acetyl-S-allyl-L-cysteine
    CAS: 23127-41-5 Formula: C8H13NO3S Molecular Weight: 203.26
    Solid ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: N351953
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    IUPAC Name
    (2R)-2-acetamido-3-prop-2-enylsulfanylpropanoic acid
    SMILES
    CC(=O)NC(CSCC=C)C(=O)O
    InChIKey
    LKRAEHUDIUJBSF-ZETCQYMHSA-N
    InChI
    1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m0/s1
    Synonyms
    N-Acetyl-S-allylcysteine | N-Acetyl-S-allyl-L-cysteine | HY-114976 | CHEBI:189718 | L-Cysteine, N-acetyl-S-2-propen-1...
  5. seco Rapamycin Sodium Salt
    CAS: 148554-65-8 PubChem CID: 71772273 Formula: C51H78NO13・Na Molecular Weight: 936.15
    ◐ .Made to order · 8–12 wks Item #: S329260
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    IUPAC Name
    sodium;(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-dshow 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.[Na+]
    InChIKey
    DNMSBJYMPJMFNS-OWGFPTNRSA-M
    InChI
    1S/C51H79NO13.Na/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)30-39-22show more
    Synonyms
    [2R-[2α,2(S*),3α,6β[2S*,3E,5E,7E,9S*,11R*,13R*,14R*,15E,17R*,19E/Z,21R*,22(1S*,3R*,4R*)]]]-1-[Oxo[tetrahydro-2-hydrox...
  6. (3R,5S)-Atorvastatin Sodium Salt
    CAS: 131275-93-9 Formula: C33H34FN2NaO5 Molecular Weight: 580.62
    ◐ .Made to order · 8–12 wks Item #: A339013
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    IUPAC Name
    sodium;(3R,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
    SMILES
    CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Na+]
    InChIKey
    VVRPOCPLIUDBSA-MFHXMFJOSA-M
    InChI
    1S/C33H35FN2O5.Na/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h3-1show more
    Synonyms
    J-005971 | (3R,5S)-Atorvastatin (sodium) | Atorvastatin 10-Trans (Atorvastatin Impurity AT10) | DTXSID80675639 | (3R,...
  7. Norgestimate metabolite Norelgestromin (mixture of isomers), Progesterone receptor agonist
    CAS: 53016-31-2 Formula: C21H29NO2 Molecular Weight: 327.46
    ● In Stock — US warehouse, ships to EU* Item #: D336719
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    IUPAC Name
    (3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
    SMILES
    CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NO)CCC34
    InChIKey
    ISHXLNHNDMZNMC-VTKCIJPMSA-N
    InChI
    1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15+/t16-,17+,18+,19-,20-,show more
    Synonyms
    ((E)-Norelgestromin) | DTXSID9046788 | (3E)-13.BETA.-ETHYL-3-(HYDROXYIMINO)-18,19-DINOR-17.ALPHA.-PREGN-4-EN-20-YN-17...
  8. 2-Amino-1-(2,5-dimethoxyphenyl)ethanol
    CAS: 3600-87-1 EC Number: 868-039-3 Formula: C10H15NO3 Molecular Weight: 197.24
    ● In Stock — US warehouse, ships to EU* Item #: A353857
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    IUPAC Name
    2-amino-1-(2,5-dimethoxyphenyl)ethanol
    SMILES
    COC1=CC(=C(C=C1)OC)C(CN)O
    InChIKey
    VFRCNXKYZVQYLX-UHFFFAOYSA-N
    InChI
    1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
    Synonyms
    SCHEMBL476432 | C21521 | Benzyl alcohol, alpha-(aminomethyl)-2,5-dimethoxy- | ST 1059 | 1-(2',5'-Dimethoxyphenyl)amin...
  9. Quercetin 7-O-β-D-Glucuronide
    CAS: 38934-20-2 PubChem CID: 11641481 Formula: C21H18O13 Molecular Weight: 478.36
    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 #: Q346716
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    IUPAC Name
    (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    SMILES
    C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O)O
    InChIKey
    JXWGCVLNCGCZRU-JENRNSKYSA-N
    InChI
    1S/C21H18O13/c22-8-2-1-6(3-9(8)23)18-15(27)13(25)12-10(24)4-7(5-11(12)33-18)32-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(Hshow more
    Synonyms
    A-D-Glucuronide | (2S,3S,4S,5R,6S)-6-((2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydr...
  10. 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane
    CAS: 72-54-8 EC Number: 200-783-0 Formula: C14H10Cl4 Molecular Weight: 320.04
    ● In Stock — US warehouse, ships to EU* Item #: D115083
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    IUPAC Name
    1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
    SMILES
    C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
    InChIKey
    AHJKRLASYNVKDZ-UHFFFAOYSA-N
    InChI
    1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
    Synonyms
    TDE | 1,1-DICHLORO-2,2-BIS(P-CHLOROPHENYL)ETHANE [MI] | 1,2-bis(4-cloro-fenil)-etano | 1,1-Dicloro-2,2-bis(4-cloro-fe...
  11. 4-(3-Methylamino-1-thiophen-2-yl-propyl)-naphthalen-1-ol
    CAS: 949095-98-1 Formula: C18H19NOS Molecular Weight: 297.42
    ◐ .Made to order · 8–12 wks Item #: M377839
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    IUPAC Name
    4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol
    SMILES
    CNCCC(C1=CC=C(C2=CC=CC=C21)O)C3=CC=CS3
    InChIKey
    OJXMJLCWKLPCHB-UHFFFAOYSA-N
    InChI
    1S/C18H19NOS/c1-19-11-10-16(18-7-4-12-21-18)14-8-9-17(20)15-6-3-2-5-13(14)15/h2-9,12,16,19-20H,10-11H2,1H3
    Synonyms
    ?RS)-4-(3-Methylamino-1-thiophen-2-yl-propyl)-naphthalen-1-ol | BRN 1803774 | Prestwick1_000912 | SCHEMBL13700329 | 4...
  12. (R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
    CAS: 220246-81-1 PubChem CID: 9816296 Formula: C13H15N3O2 Molecular Weight: 245.28
    ◐ .Made to order · 8–12 wks Item #: R341950
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    IUPAC Name
    N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
    SMILES
    CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C
    InChIKey
    GDZXNMWZXLDEKG-MRVPVSSYSA-N
    InChI
    1S/C13H15N3O2/c1-8-7-12(18)15-16-13(8)10-3-5-11(6-4-10)14-9(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,18)/t8-/m1/s1
    Synonyms
    dihydropyridazinone 6a | N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide | (R)-N-(4-(4-methy...
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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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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.
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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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