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Drug Metabolite

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Items 37-48 of 425

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    Molsidomine
      Grade & Purity: 
    • ≥98%
    Cas Number: 25717-80-0
    Formula:  C9H14N4O4        Molecular Weight: 242.24
    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:  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...
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    Monoethyl phthalate
      Grade & Purity: 
    • ≥98%
    Cas Number: 2306-33-4
    Formula:  C10H10O4        Molecular Weight: 194.18
    IUPAC Name:  2-ethoxycarbonylbenzoic acid
    SMILES:  CCOC(=O)C1=CC=CC=C1C(=O)O
    InChIKey: YWWHKOHZGJFMIE-UHFFFAOYSA-N
    InChI:  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...
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    Hydroxy Itraconazole
    Cas Number: 112559-91-8
    Formula:  C35H38Cl2N8O5        Molecular Weight: 721.63
    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:  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(50-31,20-43-22-38show 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...
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    Trimethylamine N-Oxide Anhydrous
      Grade & Purity: 
    • ≥95%(T)
    Cas Number: 1184-78-7        Compound CID:  1145
    Formula:  C3H9NO        Molecular Weight: 75.11
    IUPAC Name:  N,N-dimethylmethanamine oxide
    SMILES:  C[N+](C)(C)[O-]
    InChIKey: UYPYRKYUKCHHIB-UHFFFAOYSA-N
    InChI:  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...
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  5. , Activator of TRPA1
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    N-Acetyl-4-benzoquinone Imine, Activator of TRPA1
    Cas Number: 50700-49-7
    Formula:  C8H7NO2        Molecular Weight: 149.147
    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:  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...
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  6. , Xanthine dehydrogenase inhibitor
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    Oxypurinol, Xanthine dehydrogenase inhibitor
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 2465-59-0
    Formula:  C5H4N4O2        Molecular Weight: 152.11
    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:  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...
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    Lansoprazole sulfone
    Cas Number: 131926-99-3
    Formula:  C16H14F3N3O3S        Molecular Weight: 385.36
    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:  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...
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    N-Methylanthranilic Acid
      Grade & Purity: 
    • ≥99%
    Cas Number: 119-68-6
    Formula:  C8H9NO2        Molecular Weight: 151.17
    IUPAC Name:  2-(methylamino)benzoic acid
    SMILES:  CNC1=CC=CC=C1C(=O)O
    InChIKey: WVMBPWMAQDVZCM-UHFFFAOYSA-N
    InChI:  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...
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  9. , Norepinephrine transporter inhibitor
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    Nortriptyline Hydrochloride, Norepinephrine transporter inhibitor
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 894-71-3        EC Number: 212-973-0
    Formula:  C19H21N · HCl        Molecular Weight: 299.84
    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:  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-...
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    Pantoprazole Sulfide
      Grade & Purity: 
    • ≥95%
    Cas Number: 102625-64-9
    Formula:  C16H15F2N3O3S        Molecular Weight: 367.37
    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:  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-...
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    Phthalaldehydic Acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 119-67-5        EC Number: 204-342-3        Compound CID:  8406
    Formula:  C8H6O3        Molecular Weight: 150.13
    IUPAC Name:  2-formylbenzoic acid
    SMILES:  C1=CC=C(C(=C1)C=O)C(=O)O
    InChIKey: DYNFCHNNOHNJFG-UHFFFAOYSA-N
    InChI:  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...
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    7-Ethyl-10-hydroxycamptothecin
    Cas Number: 86639-52-3        EC Number: 643-093-9
    Formula:  C22H20N2O5        Molecular Weight: 392.4
    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:  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-/m0show more
    Synonyms: UNII-0H43101T0J | BCP9000200 | 0H43101T0J | BP-24513 | CAMPTOTHECIN, 7-ETHYL-10-HYDROXY- | SN 38 lactone | AC-1357 | ...
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Molecule Type
  1. Small molecule 250 items
  2. Unknown 7 items
  3. Protein 1 item
Target
  1. HTR2A 7 items
  2. CHRM3 5 items
  3. CHRM1 5 items
  4. HTR2C 5 items
  5. HTR2B 5 items
  6. KCNH2 5 items
  7. SLC6A4 3 items
  8. CHRM5 3 items
  9. CHRM4 3 items
  10. CYP2D6 2 items
  11. DRD1 2 items
  12. DRD2 2 items
  13. DHFR 2 items
  14. DHODH 2 items
  15. HCAR2 2 items
  16. HRH1 2 items
  17. SLC6A2 2 items
  18. TAS2R39 2 items
  19. SHBG 2 items
  20. NAPRT 2 items
  21. PTGS1 2 items
  22. PTGS2 2 items
  23. CA1 2 items
  24. CA2 2 items
  25. CA12 2 items
  26. CA14 2 items
  27. CA9 2 items
  28. CA7 2 items
  29. HTR1B 2 items
  30. HTR4 2 items
  31. CHRM2 2 items
  32. ACE 2 items
  33. HTR7 2 items
  34. AGTR1 2 items
  35. HTR1D 2 items
  36. HTR1F 2 items
  37. HTR1A 2 items
  38. HTR6 2 items
  39. TAS2R14 2 items
  40. IMPDH2 2 items
  41. IMPDH1 2 items
  42. CYP1B1 1 item
  43. CYP2A6 1 item
  44. ESR1 1 item
  45. SLC22A12 1 item
  46. SRC 1 item
  47. VDR 1 item
  48. KCNJ6 1 item
  49. FDFT1 1 item
  50. KCNC1 1 item
  51. SLC6A3 1 item
  52. TOP1 1 item
  53. TRPA1 1 item
  54. PDE3A 1 item
  55. PDE3B 1 item
  56. MMP12 1 item
  57. CASP1 1 item
  58. CACNA1C 1 item
  59. CASP4 1 item
  60. CYP1A1 1 item
  61. ATP1A1 1 item
  62. DRD3 1 item
  63. GC 1 item
  64. XDH 1 item
  65. CHRNA7 1 item
  66. ABCG2 1 item
  67. ADRA2B 1 item
  68. ADRA2C 1 item
  69. ABL1 1 item
  70. HTR1E 1 item
  71. AKR1C3 1 item
  72. KCNK2 1 item
  73. KCNJ5 1 item
  74. KCNJ10 1 item
  75. NPC1L1 1 item
Physical Form
  1. Solid 24 items
  2. Liquid 2 items
Purity
  1. ≥98% 134 items
  2. ≥99% 52 items
  3. ≥97% 45 items
  4. ≥95% 40 items
  5. ≥98%(HPLC) 13 items
  6. ≥98%(GC) 5 items
  7. ≥90% 4 items
  8. ≥96% 3 items
  9. ≥97%(GC) 3 items
  10. ≥98%(CP),≥98 atom% D 2 items
  11. ≥98%(GC)(T) 2 items
  12. ≥98%(HPLC)(T) 2 items
  13. ≥98%(T) 2 items
  14. ≥80% 1 item
  15. ≥90%(HPLC) 1 item
  16. ≥94% 1 item
  17. ≥95 atom% D,≥95% 1 item
  18. ≥95%(T) 1 item
  19. ≥97%(HPLC) 1 item
  20. ≥98 atom% D,≥96%(CP) 1 item
  21. ≥98 atom% D,≥98% 1 item
  22. ≥98%(HPLC)(N) 1 item
  23. ≥98%(TLC) 1 item
  24. ≥99%(HPLC) 1 item
  25. ≥99%(HPLC)(T) 1 item
  26. ≥99.5% 1 item
  27. ≥99.5%(GC) 1 item
  28. ≥99.5%(HPLC) 1 item
  29. ≥99.6% 1 item
  30. ≥99.9%(HPLC) 1 item
Grade
  1. Moligand™ 49 items
  2. analytical standard 21 items
  3. AR 2 items
  4. for synthesis 2 items
  5. Melting point standard 1 item
  6. pharmaceutical grade 1 item
  7. PharmPure™ 1 item
  8. Standard for GC 1 item
  9. Standard for quantitative NMR 1 item
  10. Ultra pure 1 item
Action Type
  1. AGONIST 11 items
  2. INHIBITOR 11 items
  3. ANTAGONIST 6 items
  4. ALLOSTERIC MODULATOR 2 items
  5. CROSS-LINKING AGENT 2 items
  6. ACTIVATOR 1 item
  7. CHANNEL BLOCKER 1 item
  8. GATING INHIBITOR 1 item
Price
  1. $0.00 - $500.00 351 items
  2. $500.00 - $1,000.00 39 items
  3. $1,000.00 - $1,500.00 17 items
  4. $1,500.00 - $2,000.00 8 items
  5. $2,000.00 - $2,500.00 2 items
  6. $2,500.00 - $3,000.00 5 items
  7. $5,000.00 - $5,500.00 2 items
  8. $5,500.00 - $6,000.00 1 item
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