Benzopyrans
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
Vadimezan, TRC
CAS: 117570-53-3 Molecular Formula: C17H14O4 Molecular Weight (g/mol): 282.29 Synonym: 2-(5,6-Dimethyl-9-oxo-9H-xanthen-4-yl)acetic Acid,5,6-Dimethyl-9-oxo-9H-xanthen-4-ylacetic Acid,5,6-Dimethylxanthenone-4-acetic Acid,AS 1404,ASA 404,DMXAA,NSC 640488,5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic Acid IUPAC Name: 2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid SMILES: Cc1ccc2C(=O)c3cccc(CC(=O)O)c3Oc2c1C
6-Carboxyfluorescein, TRC
CAS: 3301-79-9 Molecular Formula: C21 H12 O7 Molecular Weight (g/mol): 376.32 IUPAC Name: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid SMILES: OC(=O)c1ccc2C(=O)OC3(c4ccc(O)cc4Oc5cc(O)ccc35)c2c1
Fluoresceinamine, Isomer 1, TRC
CAS: 3326-34-9 Molecular Formula: C20 H13 N O5 Molecular Weight (g/mol): 347.32 IUPAC Name: 6-amino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35
4-Hydroxy Nebivolol, Hydrochloride Hydrate(Mixture of Diastereomers), TRC
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Zinpyr-1, TRC
CAS: 288574-78-7 Molecular Formula: C46 H36 Cl2 N6 O5 Molecular Weight (g/mol): 823.72 IUPAC Name: 2-[4,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid SMILES: OC(=O)c1ccccc1C2=C3C=C(Cl)C(=O)C(=C3Oc4c(CN(Cc5ccccn5)Cc6ccccn6)c(O)c(Cl)cc24)CN(Cc7ccccn7)Cc8ccccn8
Beta-Mangostin, TRC
CAS: 20931-37-7 Molecular Formula: C25 H28 O6 Molecular Weight (g/mol): 424.49 Synonym: 1,6-Dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one IUPAC Name: 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one SMILES: COc1cc2Oc3cc(O)c(OC)c(CC=C(C)C)c3C(=O)c2c(O)c1CC=C(C)C
1-Pentadecanethiol, TRC
CAS: 25276-70-4 Molecular Formula: C15H32S Molecular Weight (g/mol): 244.48 IUPAC Name: pentadecane-1-thiol SMILES: CCCCCCCCCCCCCCCS
Diacetylfluorescein, TRC
CAS: 596-09-8 Molecular Formula: C24 H16 O7 Molecular Weight (g/mol): 416.38 Synonym: Fluorescein diacetate,Diacetylfluorescein,3',6'-Bis(acetyloxy)spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one IUPAC Name: (6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate SMILES: CC(=O)Oc1ccc2c(Oc3cc(OC(=O)C)ccc3C24OC(=O)c5ccccc45)c1
rac Nebivolol Hydrochloride, TRC
CAS: 169293-50-9 Molecular Formula: C22 H25 F2 N O4 . Cl H Molecular Weight (g/mol): 441.9 Synonym: 2H-1-Benzopyran-2-methanol, α,α'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, hydrochloride (1:1),2H-1-Benzopyran-2-methanol, α,α'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, hydrochloride (9CI) IUPAC Name: 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol;hydrochloride SMILES: Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C3CCc4cc(F)ccc4O3
Phloxine B, TRC
CAS: 18472-87-2 Molecular Formula: C20 H2 Br4 Cl4 O5 . 2 Na Molecular Weight (g/mol): 829.63 Synonym: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, sodium salt (1:2),Fluorescein, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-, disodium salt (8CI),Phloxin B (6CI),Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-, disodium salt (9CI),11969 Red,3427 Veri Pur Pink,Acid Red 92,Aizen Acid Phloxine PB,C.I. 45410,C.I. Acid Red 92,Cyanosin,Cyanosin (acid dye),Cyanosin B,Cyanosine,D and C Red No. 28,D&C Red 28,D&C Red 28-308267,D&C Red No. 28,D&C Red No. 28-15347,D&C Red No. 28-38015,Daiwa Red 104WB,Daiwa Red 45,DermaGlo DG-R 428,Disodium 9-(3',4',5',6'-tetrachloro-o-carboxyphenyl)-6-hydroxy-6-hydroxy-2,4,5,7-tetrabromo-3-isoxanthone,Eosin blue,Eosin bluish,Eosine blue,Eosine bluish,Food Red 104,Food Red No. 104,Japan Red 104,Japan Red 104-1,Japan Red No. 104-1,Orient Water Pink 2,Phloxine B,Phloxine B 38015,Phloxine P,Phyloxine B,Red 104,Red No. 104,Red No.104-1,Triacid Floxine 2G,Water Pink 2 IUPAC Name: disodium;2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate SMILES: [Na+].[Na+].[O-]c1c(Br)cc2c(Oc3c(Br)c([O-])c(Br)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1Br
Nebivolol, TRC
CAS: 99200-09-6 Molecular Formula: C22H25F2NO4 Molecular Weight (g/mol): 405.44 Synonym: α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]; IUPAC Name: 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol SMILES: FC1=CC=C2C(CCC(C(O)CNCC(O)C3CCC4=CC(F)=CC=C4O3)O2)=C1