Drug Metabolite

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  1. N-Deshydroxyethyl Dasatinib
    CAS: 910297-51-7 Formula: C20H22ClN7OS Molecular Weight: 443.95
    ● In Stock — US warehouse, ships to EU* Item #: N338782
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    Technical Identifiers
    IUPAC Name
    N-(2-chloro-6-methylphenyl)-2-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
    SMILES
    CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCNCC4
    InChIKey
    DOBZFFWLHXORTB-UHFFFAOYSA-N
    InChI
    1S/C20H22ClN7OS/c1-12-4-3-5-14(21)18(12)27-19(29)15-11-23-20(30-15)26-16-10-17(25-13(2)24-16)28-8-6-22-7-9-28/h3-5,10-11,22H,6-9H2,1-2H3,(H,27,29)(H,2show more
    Synonyms
    N-DeshydroxyethylDasatinib-d8 | N-Deshydroxyethyl dasatinib metabolite M4 | DOBZFFWLHXORTB-UHFFFAOYSA-N | N-(2-Chloro...
  2. N-Desmethyl Imatinib
    CAS: 404844-02-6 EC Number: 112-387-4 Formula: C28H29N7O Molecular Weight: 479.58
    ● In Stock — US warehouse, ships to EU* Item #: N303667
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    IUPAC Name
    N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide
    SMILES
    CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNCC3)NC4=NC=CC(=N4)C5=CN=CC=C5
    InChIKey
    BQQYXPHRXIZMDM-UHFFFAOYSA-N
    InChI
    1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,show more
    Synonyms
    N-[4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-(1-piperazinylmethyl)-benzamide | CGP74588 | CGP-74588 ...
  3. N-Methylnicotinamide
    CAS: 114-33-0 EC Number: 204-046-4 Formula: C7H8N2O Molecular Weight: 136.15
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: N420708
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    IUPAC Name
    N-methylpyridine-3-carboxamide
    SMILES
    CNC(=O)C1=CN=CC=C1
    InChIKey
    ZYVXHFWBYUDDBM-UHFFFAOYSA-N
    InChI
    1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
    Synonyms
    DB08840 | N-Methyl-3-pyridinecarboxamide | NSC66521 | NSC-66521 | 3-(Methylcarbamoyl)pyridine | HY-124124 | N-methyl ...
  4. N-[11-(dipyrrometheneboron difluoride)undecanoyl]-D-erythro-sphingosine
    CAS: 1246355-58-7 PubChem CID: 125305975 Formula: C42H70N3O3F2 Molecular Weight: 713.831
    ◐ .Made to order · 8–12 wks Item #: N130272
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    IUPAC Name
    11-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)-N-[(E,2S,3R)-1,3-dihydroxyoctshow more
    SMILES
    [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)CCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O)C)C)(F)F
    InChIKey
    NGWZKZIJSBUOIZ-BOOOSZIVSA-N
    InChI
    1S/C42H70BF2N3O3/c1-6-7-8-9-10-11-12-13-14-15-19-22-25-28-39(50)38(32-49)46-40(51)29-26-23-20-17-16-18-21-24-27-37-41-33(2)30-35(4)47(41)43(44,45)48-3show more
    Synonyms
    N-[11-(TopFluor)undecanoyl]-D-erythro-sphingosine
  5. Nicotinamide N-Oxide
    CAS: 1986-81-8 EC Number: 217-859-4 Formula: C6H6N2O2 Molecular Weight: 138.12
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: N422414
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    IUPAC Name
    1-oxidopyridin-1-ium-3-carboxamide
    SMILES
    C1=CC(=C[N+](=C1)[O-])C(=O)N
    InChIKey
    USSFUVKEHXDAPM-UHFFFAOYSA-N
    InChI
    1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)
    Synonyms
    3-Pyridinecarboxamide, 1-oxide | Nicotinamide N-oxide | InChI=1/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9) | Nic...
  6. Nortriptyline-d3 Hydrochloride
    CAS: 203784-52-5 Formula: C19H19D3ClN Molecular Weight: 302.86
    ◐ .Made to order · 8–12 wks Item #: N331915
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    IUPAC Name
    3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N-(trideuteriomethyl)propan-1-amine;hydrochloride
    SMILES
    CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl
    InChIKey
    SHAYBENGXDALFF-NIIDSAIPSA-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/i1D3;
    Synonyms
    F91203 | Nortriptyline-d3 Hydrochloride | Acetexa-d3 | NORTRIPTYLINE HCl (METHYL-D3) | Nortriptyline-D3.HCl, 1mg/ml i...
  7. Nortriptyline Hydrochloride, Norepinephrine transporter inhibitor
    CAS: 894-71-3 EC Number: 212-973-0 Formula: C19H21N · HCl Molecular Weight: 299.84
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: N426721
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    Technical Identifiers
    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-...
  8. Omeprazole Sulfide
    CAS: 73590-85-9 EC Number: 615-997-3 Formula: C17H19N3O2S Molecular Weight: 329.42
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: O425738
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    IUPAC Name
    6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole
    SMILES
    CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC
    InChIKey
    XURCIPRUUASYLR-UHFFFAOYSA-N
    InChI
    1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
    Synonyms
    UFIPRAZOLE|73590-85-9|Omeprazole sulfide|omeprazole sulphide|Omeprazole metabolite Omeprazole sulfide|5-methoxy-2-[[(...
  9. Omeprazole Sulfone
    CAS: 88546-55-8 Formula: C17H19N3O4S Molecular Weight: 361.42
    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%
    ◐ .Made to order · 8–12 wks Item #: O354113
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    Technical Identifiers
    IUPAC Name
    6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole
    SMILES
    CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC
    InChIKey
    IXEQEYRTSRFZEO-UHFFFAOYSA-N
    InChI
    1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
    Synonyms
    Omeprazole sulfone, analytical standard | AMY30576 | BCP05850 | SCHEMBL2340649 | Omeprazole metabolite Omeprazole sul...
  10. Palifosfamide, DNA cross-linking agent
    CAS: 31645-39-3 Formula: C4H11Cl2N2O2P Molecular Weight: 221.02
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: P423292
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    Technical Identifiers
    IUPAC Name
    bis(2-chloroethylamino)phosphinic acid
    SMILES
    C(CCl)NP(=O)(NCCCl)O
    InChIKey
    BKCJZNIZRWYHBN-UHFFFAOYSA-N
    InChI
    1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)
    Synonyms
    DB05668 | IPAM | 6A4U6NN813 | Isophosphoramide mustard | Isophosphamide mustard | N,N'-Di-(2-chloroethyl)phosphorodia...
  11. Paliperidone, Serotonin 2a (5-HT2a) receptor antagonist
    CAS: 144598-75-4 EC Number: 620-493-1 Formula: C23H27FN4O3 Molecular Weight: 426.48
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 2mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: P421635
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    IUPAC Name
    3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
    SMILES
    CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
    InChIKey
    PMXMIIMHBWHSKN-UHFFFAOYSA-N
    InChI
    1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
    Synonyms
    9-hydroxy risperidone | N05AX13 | Q423292 | racemic paliperidone | RAC 9-HYDROXY RISPERIDONE | SR-02000000862 | FT-06...
  12. Ramelteon Metabolite M-II-d3
    CAS: 1246812-22-5 PubChem CID: 71751961 Formula: C16H18D3NO3 Molecular Weight: 278.36
    mixture of R and S at the hydroxy position
    ◐ .Made to order · 8–12 wks Item #: R341031
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    IUPAC Name
    3,3,3-trideuterio-2-hydroxy-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
    SMILES
    CC(C(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3)O
    InChIKey
    FGFNIJYHXMJYJN-PJCDIQNWSA-N
    InChI
    1S/C16H21NO3/c1-10(18)16(19)17-8-6-12-3-2-11-4-5-14-13(15(11)12)7-9-20-14/h4-5,10,12,18H,2-3,6-9H2,1H3,(H,17,19)/t10?,12-/m0/s1/i1D3
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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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