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Benzopyrans

Organic polycyclic compounds that consist of a benzene fused with a heterocyclic pyran ring; pyran rings are six-membered non-aromatic rings with five carbon atoms, one oxygen atom, and two double bonds.
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1 – 15 of 69 results
2

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

CAS 4385-35-7
Molecular Weight (g/mol) 148.16
SMILES O=C1CC2=CC=CC=C2CO1
IUPAC Name 3,4-dihydro-1H-2-benzopyran-3-one
InChI Key ILHLUZUMRJQEAH-UHFFFAOYSA-N
Molecular Formula C9H8O2
3

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

PubChem CID 54680783
CAS 518-75-2
Molecular Weight (g/mol) 250.25
SMILES CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
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
IUPAC Name (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid
InChI Key CBGDIJWINPWWJW-IYSWYEEDSA-N
Molecular Formula C13H14O5
4

Fluorescein Isothiocyanate (>85%), TRC

CAS: 27072-45-3 Molecular Formula: C21H11NO5S Molecular Weight (g/mol): 389.38 Synonym: FITC,Isothiocyanato Fluorescein,3',6'-Dihydroxy-5(or 6)-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one Incompletely Defined Substance,5(6)-FITC SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.CN=C=S

CAS 27072-45-3
Molecular Weight (g/mol) 389.38
SMILES C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.CN=C=S
Synonym FITC,Isothiocyanato Fluorescein,3',6'-Dihydroxy-5(or 6)-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one Incompletely Defined Substance,5(6)-FITC
Molecular Formula C21H11NO5S
5

FlAsH-EDT2, TRC

CAS: 212118-77-9 Molecular Formula: C24 H18 As2 O5 S4 Molecular Weight (g/mol): 664.5 IUPAC Name: 2-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid SMILES: OC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c2ccc(O)c4[As]5SCCS5)[As]6SCCS6

CAS 212118-77-9
Molecular Weight (g/mol) 664.5
SMILES OC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c2ccc(O)c4[As]5SCCS5)[As]6SCCS6
IUPAC Name 2-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid
Molecular Formula C24 H18 As2 O5 S4
6

LY 294002, TRC

CAS: 154447-36-6 Molecular Formula: C19H17NO3 Molecular Weight (g/mol): 307.34 Synonym: NSC 697286,SF 1101,8-Phenyl-2-(morpholin-4-yl)-chromen-4-one,2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one,2-Morpholino-8-phenyl-4H-chromen-4-one SMILES: COC(=O)C[C@@H](Br)C(=O)OC

CAS 154447-36-6
Molecular Weight (g/mol) 307.34
SMILES COC(=O)C[C@@H](Br)C(=O)OC
Synonym NSC 697286,SF 1101,8-Phenyl-2-(morpholin-4-yl)-chromen-4-one,2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one,2-Morpholino-8-phenyl-4H-chromen-4-one
Molecular Formula C19H17NO3
7

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

CAS 13558-31-1
Molecular Weight (g/mol) 366.8
SMILES Cl.Nc1ccc2C(=C3C=CC(=N)C=C3Oc2c1)c4ccccc4C(=O)O
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
Molecular Formula C20 H14 N2 O3 . Cl H
8

Diethyl Cromoglycate, TRC

CAS: 16150-45-1 Molecular Formula: C27 H24 O11 Molecular Weight (g/mol): 524.47 Synonym: Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)dioxy]bis(4-oxo-4H-1-benzopyran-2-carboxylate),Sodium Cromoglicate Imp. B (EP),Ethyl Cromoglicate,Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate) IUPAC Name: ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate SMILES: CCOC(=O)C1=CC(=O)c2c(OCC(O)COc3cccc4OC(=CC(=O)c34)C(=O)OCC)cccc2O1

CAS 16150-45-1
Molecular Weight (g/mol) 524.47
SMILES CCOC(=O)C1=CC(=O)c2c(OCC(O)COc3cccc4OC(=CC(=O)c34)C(=O)OCC)cccc2O1
Synonym Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)dioxy]bis(4-oxo-4H-1-benzopyran-2-carboxylate),Sodium Cromoglicate Imp. B (EP),Ethyl Cromoglicate,Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)
IUPAC Name ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
Molecular Formula C27 H24 O11
9

Hematoxylin (Technical Grade), TRC

CAS: 517-28-2 Molecular Formula: C16 H14 O6 Molecular Weight (g/mol): 302.279 Synonym: Hematoxylin IUPAC Name: (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol SMILES: Oc1cc2C[C@@]3(O)COc4c(O)c(O)ccc4[C@H]3c2cc1O

CAS 517-28-2
Molecular Weight (g/mol) 302.279
SMILES Oc1cc2C[C@@]3(O)COc4c(O)c(O)ccc4[C@H]3c2cc1O
Synonym Hematoxylin
IUPAC Name (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
Molecular Formula C16 H14 O6
10

2',7'-Dichlorofluorescein diacetate, TRC

CAS: 2044-85-1 Molecular Formula: C24H14Cl2O7 Molecular Weight (g/mol): 485.27 Synonym: MFCD 37501,3',6'-Bis(acetyloxy)-2',7'-dichlorospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one SMILES: CC(=O)Oc1cc2Oc3cc(OC(=O)C)c(Cl)cc3C4(OC(=O)c5ccccc45)c2cc1Cl

CAS 2044-85-1
Molecular Weight (g/mol) 485.27
SMILES CC(=O)Oc1cc2Oc3cc(OC(=O)C)c(Cl)cc3C4(OC(=O)c5ccccc45)c2cc1Cl
Synonym MFCD 37501,3',6'-Bis(acetyloxy)-2',7'-dichlorospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
Molecular Formula C24H14Cl2O7
12

A 844606, TRC

CAS: 861119-08-6 Molecular Formula: C20H20N2O2 Molecular Weight (g/mol): 320.38 Synonym: A 844606,2-(7-Methyl-3,7-diazabicyclo[3.3.0]octan-3-yl)xanthen-9-one,2-(Hexahydro-5-methylpyrrolo[3,4-c]pyrrol-2(1H)-yl)-9H-xanthen-9-one IUPAC Name: 2-(5-methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-9H-xanthen-9-one SMILES: CN1CC2CN(CC2C1)c3ccc4Oc5ccccc5C(=O)c4c3

CAS 861119-08-6
Molecular Weight (g/mol) 320.38
SMILES CN1CC2CN(CC2C1)c3ccc4Oc5ccccc5C(=O)c4c3
Synonym A 844606,2-(7-Methyl-3,7-diazabicyclo[3.3.0]octan-3-yl)xanthen-9-one,2-(Hexahydro-5-methylpyrrolo[3,4-c]pyrrol-2(1H)-yl)-9H-xanthen-9-one
IUPAC Name 2-(5-methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-9H-xanthen-9-one
Molecular Formula C20H20N2O2
13

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

CAS 1199945-26-0
Molecular Weight (g/mol) 495.56
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
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
Molecular Formula C29H31F2NO4
14

Mangiferin, TRC

CAS: 4773-96-0 Molecular Formula: C19 H18 O11 Molecular Weight (g/mol): 422.34 Synonym: 9H-Xanthen-9-one, 2-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-,Mangiferin (6CI,7CI,8CI),1,3,6,7-Tetrahydroxyxanthone-C2-β-D-glucoside,2-C-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxyxanthone,2-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one,Alpizarin,Alpizarine,Aphloiol,Chinomin,Chinonin,Hedysarid,NSC 248870,Shamimin IUPAC Name: 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3Oc4cc(O)c(O)cc4C(=O)c3c2O

CAS 4773-96-0
Molecular Weight (g/mol) 422.34
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3Oc4cc(O)c(O)cc4C(=O)c3c2O
Synonym 9H-Xanthen-9-one, 2-β-D-glucopyranosyl-1,3,6,7-tetrahydroxy-,Mangiferin (6CI,7CI,8CI),1,3,6,7-Tetrahydroxyxanthone-C2-β-D-glucoside,2-C-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxyxanthone,2-β-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one,Alpizarin,Alpizarine,Aphloiol,Chinomin,Chinonin,Hedysarid,NSC 248870,Shamimin
IUPAC Name 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
Molecular Formula C19 H18 O11
15

Precocene 2, TRC

CAS: 644-06-4 Molecular Formula: C13 H16 O3 Molecular Weight (g/mol): 220.26 Synonym: Precocene 2,Precocene 2 IUPAC Name: 6,7-dimethoxy-2,2-dimethylchromene SMILES: COc1cc2OC(C)(C)C=Cc2cc1OC

CAS 644-06-4
Molecular Weight (g/mol) 220.26
SMILES COc1cc2OC(C)(C)C=Cc2cc1OC
Synonym Precocene 2,Precocene 2
IUPAC Name 6,7-dimethoxy-2,2-dimethylchromene
Molecular Formula C13 H16 O3