Benzopyrans
N-Benzyl (-)-Nebivolol, TRC
CAS: 1199945-26-0 Molecular Formula: C29H31F2NO4 Molecular Weight (g/mol): 495.56 Synonym: (αS,α'S,2R,2'S)-α,α'-[[(Phenylmethyl)imino]bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol; IUPAC Name: (1S)-2-[benzyl-[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol SMILES: C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CN(CC3=CC=CC=C3)C[C@@H]([C@@H]4CCC5=C(O4)C=CC(=C5)F)O)O
5-Carboxyfluorescein-N-hydroxysuccinimide Ester, TRC
CAS: 92557-80-7 Molecular Formula: C25 H15 N O9 Molecular Weight (g/mol): 473.39 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)C(=O)ON6C(=O)CCC6=O)c1
N-Nitroso Nebivolol (Mixture of Diastereomers), TRC
CAS: 1391051-68-5 Molecular Formula: C22 H24 F2 N2 O5 Molecular Weight (g/mol): 434.43 Synonym: N,N-Bis[2-(6-fluorochroman-2-yl)-2-hydroxyethyl]nitrous amide,N,N-Bis[2-(6-fluorochroman-2-yl)-2-hydroxyethyl]nitrous amide IUPAC Name: N,N-bis[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]nitrous amide SMILES: OC(CN(CC(O)C1CCc2cc(F)ccc2O1)N=O)C3CCc4cc(F)ccc4O3
(1S,2R)-2-(2-Benzylamino-1-hydroxyethyl)-6-fluorochromane, TRC
CAS: 129050-27-7 Molecular Formula: C18H20FNO2 Molecular Weight (g/mol): 301.36 Synonym: 2H-1-Benzopyran-2-methanol, 6-fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-, (αS,2R)-,2H-1-Benzopyran-2-methanol, 6-fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-, [R-(R*,S*)]-,(αS,2R)-6-Fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-2H-1-benzopyran-2-methanol,(-)-(S)-N-Benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanamine,(1S)-1-((2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-[(phenylmethyl)amino]ethanol,2H-1-Benzopyran-2-methanol 6-fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-, (αS,2R)-,(1S,2R)-2-(2-Benzylamino-1-hydroxyethyl)-6-fluorochromane IUPAC Name: (1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol SMILES: O[C@@H](CNCc1ccccc1)[C@H]2CCc3cc(F)ccc3O2
AZD 8186, TRC
CAS: 1627494-13-6 Molecular Formula: C24H25F2N3O4 Molecular Weight (g/mol): 457.48 Synonym: AZD 8186,8-[(1R)-1-[(3,5-Difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide IUPAC Name: 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide SMILES: C[C@@H](Nc1cc(F)cc(F)c1)c2cc(cc3C(=O)C=C(Oc23)N4CCOCC4)C(=O)N(C)C
Dibromonitromethane, TRC
CAS: 598-91-4 Molecular Formula: C H Br2 N O2 Molecular Weight (g/mol): 218.83 Synonym: Dibromonitromethane (ACI),Nitrodibromomethane IUPAC Name: dibromo(nitro)methane SMILES: [O-][N+](=O)C(Br)Br
3-Isochromanone, Thermo Scientific Chemicals
CAS: 4385-35-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 InChI Key: ILHLUZUMRJQEAH-UHFFFAOYSA-N IUPAC Name: 3,4-dihydro-1H-2-benzopyran-3-one SMILES: O=C1CC2=CC=CC=C2CO1
Citrinin, MP Biomedicals™
CAS: 518-75-2 Molecular Formula: C13H14O5 Molecular Weight (g/mol): 250.25 InChI Key: CBGDIJWINPWWJW-IYSWYEEDSA-N Synonym: citrinin,antimycin,--citrinin,citriain,3r,4s-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,unii-3s697x6snz,ccris 175,3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3r-trans-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid PubChem CID: 54680783 IUPAC Name: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid SMILES: CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
Fluorescein 5-Isothiocyanate, Isomer 1, 95%, TRC
CAS: 3326-32-7 Molecular Formula: C21 H11 N O5 S Molecular Weight (g/mol): 389.38 Synonym: FITC IUPAC Name: 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1
Fluorescein 5-Isothiocyanate, Isomer 1 (~90%), TRC
CAS: 3326-32-7 Molecular Formula: C21 H11 N O5 S Molecular Weight (g/mol): 389.38 Synonym: FITC IUPAC Name: 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1
Fluorescein 6-Isothiocyanate, Isomer 2, 95%, TRC
CAS: 18861-78-4 Molecular Formula: C21 H11 N O5 S Molecular Weight (g/mol): 389.38 Synonym: Fluorescein 6-Isothiocyanate, Isomer 2 IUPAC Name: 3',6'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccc(cc45)N=C=S)c1
2-[(5-Fluoresceinyl)aminocarbonyl]ethyl Methanethiosulfonate, TRC
CAS: 351330-42-2 Molecular Formula: C24 H19 N O8 S2 Molecular Weight (g/mol): 513.54 IUPAC Name: N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-methylsulfonylsulfanylpropanamide SMILES: CS(=O)(=O)SCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35
Rhodamine 110, TRC
CAS: 13558-31-1 Molecular Formula: C20 H14 N2 O3 . Cl H Molecular Weight (g/mol): 366.8 Synonym: 3,6-Diamino-9-(2-carboxyphenyl)xanthylium Chloride,2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic Acid Monohydrochloride,3,6-Diamino-9-(2-carboxyphenyl)xanthylium Chloride,R 110,RH 110,Rhodamine 560,Rhodamine N IUPAC Name: 2-(3-amino-6-iminoxanthen-9-yl)benzoic acid;hydrochloride SMILES: Cl.Nc1ccc2C(=C3C=CC(=N)C=C3Oc2c1)c4ccccc4C(=O)O
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