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Biochemicals

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  1. Cholecalciferol (D3)
    Cas Number: 67-97-0        EC Number: 200-673-2
    Formula:  C27H44O        Molecular Weight: 384.64
    IUPAC Name:  (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1show more
    SMILES:  CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N
    InChI:  InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/show more
    Synonyms: bmse000507 | CHOLECALCIFEROL [EP MONOGRAPH] | Cyclohexanol, 3-((2E)-2-((1R,3aS,7aR)-1-((1R)-1,5-dimethylhexyl)octahyd...
  2. Regorafenib (BAY 73-4506), Nerve growth factor receptor Trk-A
    Cas Number: 755037-03-7        Compound CID:  11167602
    Formula:  C21H15ClF4N4O3        Molecular Weight: 482.82
    IUPAC Name:  4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
    SMILES:  CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F
    InChIKey: FNHKPVJBJVTLMP-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29show more
    Synonyms: CCG-269571 | AB00076187-01 | CHEBI:68647 | 755037-03-7 , Regorafenib | AC-25075 | MFCD16038047 | Regorafenib,BAY 73-4...
  3. Bilobalide
    Cas Number: 33570-04-6
    Formula:  C15H18O8        Molecular Weight: 326.3
    IUPAC Name:  (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione
    SMILES:  CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)O
    InChIKey: MOLPUWBMSBJXER-YDGSQGCISA-N
    InChI:  InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1
    Synonyms: (-)-Bilobalide | HY-N0076 | AS-17551 | BILOBALIDE [WHO-DD] | 2,5 Dibromotoluene | 2,5-Dichloro-p-quinone | MFCD002385...
  4. Vitamin D3
    Cas Number: 67-97-0        EC Number: 200-673-2
    Formula:  C27H44O        Molecular Weight: 384.64
    IUPAC Name:  (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1show more
    SMILES:  CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N
    InChI:  InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/show more
    Synonyms: bmse000507 | CHOLECALCIFEROL [EP MONOGRAPH] | Cyclohexanol, 3-((2E)-2-((1R,3aS,7aR)-1-((1R)-1,5-dimethylhexyl)octahyd...
  5. Sulindac, Cyclooxygenase inhibitor
    Cas Number: 38194-50-2        EC Number: 250-893-8, 232-527-9, 253-819-2        Compound CID:  1548887
    Formula:  C20H17FO3S        Molecular Weight: 356.41
    IUPAC Name:  2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
    SMILES:  CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
    InChIKey: MLKXDPUZXIRXEP-MFOYZWKCSA-N
    InChI:  InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
    Synonyms: 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-, (Z)- | Aflodac | SULINDAC (USP M...
  6. Ketoconazole, Inhibitor of CYP3A4;Channel blocker of K v1.8
    Cas Number: 65277-42-1        EC Number: 265-667-4
    Formula:  C26H28Cl2N4O4        Molecular Weight: 531.43
    IUPAC Name:  1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
    SMILES:  CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N
    InChI:  InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,2show more
    Synonyms: HMS3678J17 | Ketoconazole (k) | KTZ | MLS002222255 | N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid | NCGC000...
  7. 5'-Adenylic Acid
    Cas Number: 61-19-8
    Formula:  C10H14N5O7P        Molecular Weight: 347.22
    IUPAC Name:  [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    SMILES:  C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
    InChIKey: UDMBCSSLTHHNCD-KQYNXXCUSA-N
    InChI:  InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,1show more
    Synonyms: 5'-AMP | 5'-adenylic acid | Adenosine monophosphate | Muscle adenylate | 8gpb | Monophosphadenine | SCHEMBL5588 | ade...
  8. 5'-Adenylic Acid, Gating inhibitor of TRPM4
    Cas Number: 61-19-8
    Formula:  C10H14N5O7P        Molecular Weight: 347.22
    IUPAC Name:  [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    SMILES:  C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
    InChIKey: UDMBCSSLTHHNCD-KQYNXXCUSA-N
    InChI:  InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,1show more
    Synonyms: 5'-adenylic acid | Adenosine monophosphate | Muscle adenylate | 8gpb | Monophosphadenine | SCHEMBL5588 | adenosine 5'...
  9. 5'-Adenylic Acid, Gating inhibitor of TRPM4
    Cas Number: 61-19-8
    Formula:  C10H14N5O7P        Molecular Weight: 347.22
    IUPAC Name:  [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    SMILES:  C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
    InChIKey: UDMBCSSLTHHNCD-KQYNXXCUSA-N
    InChI:  InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,1show more
    Synonyms: 5'-adenylic acid|adenosine 5'-monophosphate|Adenosine monophosphate|adenosine phosphate|61-19-8|adenylic acid|adenosi...
  10. Vitamin D₃ solution, Vitamin D receptor agonist
      Grade & Purity: 
    • Moligand™
    • ≥97%
    • 100 μg/mL in ethanol
    Cas Number: 67-97-0        EC Number: 200-673-2
    Formula:  C27H44O        Molecular Weight: 384.64
    IUPAC Name:  (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1show more
    SMILES:  CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
    InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N
    InChI:  InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/show more
    Synonyms: bmse000507 | CHOLECALCIFEROL [EP MONOGRAPH] | Cyclohexanol, 3-((2E)-2-((1R,3aS,7aR)-1-((1R)-1,5-dimethylhexyl)octahyd...
  11. Ketoconazole
    Cas Number: 65277-42-1        EC Number: 265-667-4
    Formula:  C26H28Cl2N4O4        Molecular Weight: 531.43
    IUPAC Name:  1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
    SMILES:  CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N
    InChI:  InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,2show more
    Synonyms: HMS3678J17 | Ketoconazole (k) | KTZ | MLS002222255 | N-(1,3,4-Trihydroxyoctadecan-2-yl)octadecanimidic acid | NCGC000...
  12. (−)-Bilobalide from Ginkgo biloba leaves, Channel blocker of 5-HT 3A;Channel blocker of 5-HT 3AB;Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit
    Cas Number: 33570-04-6
    Formula:  C15H18O8        Molecular Weight: 326.3
    IUPAC Name:  (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione
    SMILES:  CC(C)(C)C1(CC2C3(C14C(C(=O)OC4OC3=O)O)CC(=O)O2)O
    InChIKey: MOLPUWBMSBJXER-YDGSQGCISA-N
    InChI:  InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1
    Synonyms: (-)-Bilobalide | HY-N0076 | AS-17551 | BILOBALIDE [WHO-DD] | 2,5 Dibromotoluene | 2,5-Dichloro-p-quinone | MFCD002385...
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