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Biochemicals
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Estrone 3-O-SulfamateCas Number: 148672-09-7Formula: C18H23NO4S Molecular Weight: 349.44IUPAC Name: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamateSMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)NInChIKey: RVKFQAJIXCZXQY-CBZIJGRNSA-NInChI: show more
Synonyms: BDBM50134329 | 1,8-dihydroxy-anthraquinone | 17-Oxoestra-1,3,5(10)-triene-3-yl Sulfamate | DAC 893 | Estrone-3-O-sulf... -
Methyl 4-hydroxycinnamateCas Number: 3943-97-3Formula: C10H10O3 Molecular Weight: 178.2IUPAC Name: methyl (E)-3-(4-hydroxyphenyl)prop-2-enoateSMILES: COC(=O)C=CC1=CC=C(C=C1)OInChIKey: NITWSHWHQAQBAW-QPJJXVBHSA-NInChI: InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+Synonyms: Cinnamic acid, p-hydroxy-, methyl ester (8CI) | Methyl Trans-P-Coumaric Acid | AG-690/03019022 | CHEBI:86904 | Methyl...
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Methylene blueCas Number: 61-73-4Formula: C16H18ClN3S Molecular Weight: 319.85IUPAC Name: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chlorideSMILES: CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]InChIKey: CXKWCBBOMKCUKX-UHFFFAOYSA-MInChI: InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1Synonyms: Methylene Blue BB (Zinc Free) | Methylene Blue USP (Medicinal) | 3H-Phenothiazine, 7-(dimethylamino)-3-(methylimino)-...
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Methyl 2,5-DihydroxybenzoateCas Number: 2150-46-1 EC Number: 218-427-8Formula: C8H8O4 Molecular Weight: 168.15IUPAC Name: methyl 2,5-dihydroxybenzoateSMILES: COC(=O)C1=C(C=CC(=C1)O)OInChIKey: XGDPKUKRQHHZTH-UHFFFAOYSA-NInChI: InChI=1S/C8H8O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,9-10H,1H3Synonyms: Benzoic acid, 2,5-dihydroxy-, methyl ester | Gentisic acid, methyl ester | MFCD00016464 | N-CARBOBENZYLOXY-D-PHENYLAL...
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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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4-Methylumbelliferyl β-D-galactopyranosideCas Number: 6160-78-7Formula: C16H18O8 Molecular Weight: 338.31IUPAC Name: 4-methyl-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-oneSMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)OInChIKey: YUDPTGPSBJVHCN-DZQJYWQESA-NInChI: InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13+,14+,15-,16-/m1/s1Synonyms: 4-Methylumbelliferyl | HY-137845 | 4-Methylumbelliferyl b-D-galactoside | SMR000543676 | CHEBI:91116 | 4-methylumbel...
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(-)-Epicatechin gallateCas Number: 1257-08-5 EC Number: 603-088-4Formula: C22H18O10 Molecular Weight: 442.37IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OInChIKey: LSHVYAFMTMFKBA-TZIWHRDSSA-NInChI: show more Synonyms: AKOS015965216 | DTXSID70925231 | trans-4-[N-ethyl-N-(2-hydroxyethyl)amino]-4'-nitroazobenzene | KBio2_003362 | S)-1-A...
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4-Methylumbelliferyl β-D-glucopyranosideCas Number: 18997-57-4 EC Number: 242-736-7Formula: C16H18O8 Molecular Weight: 338.31IUPAC Name: 4-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-oneSMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)OInChIKey: YUDPTGPSBJVHCN-YMILTQATSA-NInChI: InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1Synonyms: A813381 | HY-123633 | YUDPTGPSBJVHCN-YMILTQATSA-N | 4-methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranoside | BDBM...
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Methylene blueCas Number: 61-73-4Formula: C16H18ClN3S Molecular Weight: 319.85IUPAC Name: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chlorideSMILES: CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]InChIKey: CXKWCBBOMKCUKX-UHFFFAOYSA-MInChI: InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1Synonyms: Methylene Blue BB (Zinc Free) | Methylene Blue USP (Medicinal) | 3H-Phenothiazine, 7-(dimethylamino)-3-(methylimino)-...
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Methylene blueCas Number: 61-73-4Formula: C16H18ClN3S Molecular Weight: 319.85IUPAC Name: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chlorideSMILES: CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]InChIKey: CXKWCBBOMKCUKX-UHFFFAOYSA-MInChI: InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1Synonyms: Methylene Blue BB (Zinc Free) | Methylene Blue USP (Medicinal) | 3H-Phenothiazine, 7-(dimethylamino)-3-(methylimino)-...
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Methylene blueCas Number: 61-73-4Formula: C16H18ClN3S Molecular Weight: 319.85IUPAC Name: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chlorideSMILES: CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]InChIKey: CXKWCBBOMKCUKX-UHFFFAOYSA-MInChI: InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1Synonyms: Methylene Blue BB (Zinc Free) | Methylene Blue USP (Medicinal) | 3H-Phenothiazine, 7-(dimethylamino)-3-(methylimino)-...
