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Biochemicals
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CholesterolCas Number: 57-88-5 EC Number: 200-353-2Formula: C27H46O Molecular Weight: 386.65IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-NInChI: show moreSynonyms: 3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Chol...
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CholesterolCas Number: 57-88-5 EC Number: 200-353-2Formula: C27H46O Molecular Weight: 386.65IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-NInChI: show moreSynonyms: 3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Chol...
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Fludarabine phosphate, Ribonucleoside-diphosphate reductase RR1 inhibitorCas Number: 75607-67-9Formula: C10H13FN5O7P Molecular Weight: 365.21IUPAC Name: [(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphateSMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)F)NInChIKey: GIUYCYHIANZCFB-FJFJXFQQSA-NInChI: show moreSynonyms: HMS2094O11 | MLS004774150 | SMR002544683 | 2F-ara-AMP | 2-Fluoro-9-(5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6...
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Valdecoxib, Cyclooxygenase-2 inhibitorCas Number: 181695-72-7 Compound CID: 119607Formula: C16H14N2O3S Molecular Weight: 314.36IUPAC Name: 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamideSMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NInChIKey: LNPDTQAFDNKSHK-UHFFFAOYSA-NInChI: InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)Synonyms: Condacaps | NCGC00095129-01 | SC 65872 | Tox21_111438 | UNM-0000305814 | Spectrum3_001001 | VALDECOXIB [HSDB] | UNII-...
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Topiramate, Sodium channel alpha subunit blockerCas Number: 97240-79-4 Compound CID: 5284627Formula: C12H21NO8S Molecular Weight: 339.36IUPAC Name: [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamateSMILES: CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)CInChIKey: KJADKKWYZYXHBB-XBWDGYHZSA-NInChI: InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1Synonyms: McN 4853 | RWJ 17021 | [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]m...
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L-Histidine, Activator of carbonic anhydrase 1;Activator of carbonic anhydrase 14;Activator of carbonic anhydrase 5A;Activator of carbonic anhydrase 7Cas Number: 71-00-1 EC Number: 200-745-3Formula: C6H9N3O2 Molecular Weight: 155.15IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acidSMILES: C1=C(NC=N1)CC(C(=O)O)NInChIKey: HNDVDQJCIGZPNO-YFKPBYRVSA-NInChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1Synonyms: His | NSC 137773 | [3H]histidine | [3H]-histidine | amino-4-imidazoleproprionic acid | BDBM181118 | L-Histidin | L-be...
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Celecoxib, Cyclooxygenase-2 inhibitorCas Number: 169590-42-5 EC Number: 685-962-5Formula: C17H14F3N3O2S Molecular Weight: 381.37IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamideSMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)FInChIKey: RZEKVGVHFLEQIL-UHFFFAOYSA-NInChI: InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)Synonyms: JCX84Q7J1L | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide | CELECOXIB (EP MONOGRAPH) | CE...
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Cholesterol in MethanolCas Number: 57-88-5(solution) EC Number: 200-353-2Formula: C27H46O Molecular Weight: 386.65IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-NInChI: show moreSynonyms: 3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Chol...
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CholesterolCas Number: 57-88-5 EC Number: 200-353-2Formula: C27H46O Molecular Weight: 386.65IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-NInChI: show moreSynonyms: 3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Chol...
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CholesterolCas Number: 57-88-5 EC Number: 200-353-2Formula: C27H46O Molecular Weight: 386.65IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-NInChI: show moreSynonyms: 3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Chol...
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CholesterolCas Number: 57-88-5 EC Number: 200-353-2Formula: C27H46O Molecular Weight: 386.65IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-NInChI: show moreSynonyms: 3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Chol...
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CholesterolCas Number: 57-88-5 EC Number: 200-353-2Formula: C27H46O Molecular Weight: 386.65IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-NInChI: show moreSynonyms: 3-beta-Hydroxycholest-5-ene | 3beta-Hydroxycholest-5-ene | Dusoran | epicholesterin | Nimco cholesterol base H | Chol...
