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Benzopiranos

Compuestos policíclicos orgánicos que consisten en un benceno fusionado con un anillo de pirano heterocíclico; los anillos de pirano son anillos no aromáticos de seis miembros con cinco átomos de carbono, un átomo de oxígeno y dos enlaces dobles.
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1

3-Isocromanona, Thermo Scientific Chemicals

CAS: 4385-35-7 Fórmula molecular: C9H8O2 Peso molecular (g/mol): 148.16 Clave InChI: ILHLUZUMRJQEAH-UHFFFAOYSA-N Nombre IUPAC: 3,4-dihidro-1H-2-benzopirano-3-ona SMILES: O=C1CC2=CC=CC=C2CO1

Clave InChI ILHLUZUMRJQEAH-UHFFFAOYSA-N
Fórmula molecular C9H8O2
CAS 4385-35-7
Peso molecular (g/mol) 148.16
SMILES O=C1CC2=CC=CC=C2CO1
Nombre IUPAC 3,4-dihidro-1H-2-benzopirano-3-ona
3

Citrinina, MP Biomedicals™

CAS: 518-75-2 Fórmula molecular: C13H14O5 Peso molecular (g/mol): 250.25 Clave InChI: CBGDIJWINPWWJW-IYSWYEEDSA-N Sinónimo: 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 Nombre IUPAC: Ácido (3R,4S)-6-hidroxi-3,4,5-trimetil-8-oxo-3,4-dihidroisocromeno-7-carboxílico SMILES: CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C

Sinónimo 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
Clave InChI CBGDIJWINPWWJW-IYSWYEEDSA-N
PubChem CID 54680783
Fórmula molecular C13H14O5
CAS 518-75-2
Peso molecular (g/mol) 250.25
SMILES CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
Nombre IUPAC Ácido (3R,4S)-6-hidroxi-3,4,5-trimetil-8-oxo-3,4-dihidroisocromeno-7-carboxílico
4

(2R,3R)-2,3-Difeniloxirano, TRC

CAS: 25144-18-7 Fórmula molecular: C14H12O Peso molecular (g/mol): 196.24 Sinónimo: (alphaR,alpha'R)-trans-(+)-alpha,alpha'-Epoxybibenzyl,(2R-trans)-2,3-Diphenyloxirane,(+)-trans-2,3-Diphenyloxirane,(+)-trans-Stilbene Oxide,(R,R)-Stilbene Oxide,(R,R)-trans-Stilbene Oxide,trans-(2R,3R)-2,3-Diphenyloxirane SMILES: O1[C@@H]([C@H]1c2ccccc2)c3ccccc3

Sinónimo (alphaR,alpha'R)-trans-(+)-alpha,alpha'-Epoxybibenzyl,(2R-trans)-2,3-Diphenyloxirane,(+)-trans-2,3-Diphenyloxirane,(+)-trans-Stilbene Oxide,(R,R)-Stilbene Oxide,(R,R)-trans-Stilbene Oxide,trans-(2R,3R)-2,3-Diphenyloxirane
Fórmula molecular C14H12O
CAS 25144-18-7
Peso molecular (g/mol) 196.24
SMILES O1[C@@H]([C@H]1c2ccccc2)c3ccccc3
6

Xanthone, TRC

CAS: 90-47-1 Fórmula molecular: C13 H8 O2 Peso molecular (g/mol): 196.2 Sinónimo: Xanthen-9-one (8CI),9-Oxoxanthene,9-Xanthone,9H-Xanthene, 9-oxo-,Benzophenone oxide,Dibenzo-γ-pyrone,Diphenylene ketone oxide,Genicide,NSC 14978,Xanthenone,Xanthone Nombre IUPAC: xanten-9-ona SMILES: O=C1c2ccccc2Oc3ccccc13

Sinónimo Xanthen-9-one (8CI),9-Oxoxanthene,9-Xanthone,9H-Xanthene, 9-oxo-,Benzophenone oxide,Dibenzo-γ-pyrone,Diphenylene ketone oxide,Genicide,NSC 14978,Xanthenone,Xanthone
Fórmula molecular C13 H8 O2
CAS 90-47-1
Peso molecular (g/mol) 196.2
SMILES O=C1c2ccccc2Oc3ccccc13
Nombre IUPAC xanten-9-ona
7

Un 844606, TRC

CAS: 861119-08-6 Fórmula molecular: C20H20N2O2 Peso molecular (g/mol): 320.38 Sinónimo: 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 Nombre IUPAC: 2-(5-metilhexahidropirrolo[3,4-c]pirrol-2(1H)-il)-9H-xanten-9-uno SMILES: CN1CC2CN(CC2C1)c3ccc4Oc5ccccc5C(=O)c4c3

Sinónimo 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
Fórmula molecular C20H20N2O2
CAS 861119-08-6
Peso molecular (g/mol) 320.38
SMILES CN1CC2CN(CC2C1)c3ccc4Oc5ccccc5C(=O)c4c3
Nombre IUPAC 2-(5-metilhexahidropirrolo[3,4-c]pirrol-2(1H)-il)-9H-xanten-9-uno
8

AZD 8186, TRC

CAS: 1627494-13-6 Fórmula molecular: C24H25F2N3O4 Peso molecular (g/mol): 457.48 Sinónimo: AZD 8186,8-[(1R)-1-[(3,5-Difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide Nombre IUPAC: 8-[(1R)-1-(3,5-difluoroanilino)etilo]-N,N-dimetil-2-morfolina 4-il-4-oxocromeno-6-carboxamida SMILES: C[C@@H](Nc1cc(F)cc(F)c1)c2cc(cc3C(=O)C=C(Oc23)N4CCOCC4)C(=O)N(C)C

Sinónimo AZD 8186,8-[(1R)-1-[(3,5-Difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide
Fórmula molecular C24H25F2N3O4
CAS 1627494-13-6
Peso molecular (g/mol) 457.48
SMILES C[C@@H](Nc1cc(F)cc(F)c1)c2cc(cc3C(=O)C=C(Oc23)N4CCOCC4)C(=O)N(C)C
Nombre IUPAC 8-[(1R)-1-(3,5-difluoroanilino)etilo]-N,N-dimetil-2-morfolina 4-il-4-oxocromeno-6-carboxamida
9

Hexahidrocumarina, TRC

CAS: 700-82-3 Fórmula molecular: C9 H12 O2 Peso molecular (g/mol): 152.19 Sinónimo: Coumarin, 3,4,5,6,7,8-hexahydro- (6CI,7CI,8CI),3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-one,1-Cyclohexene-1-propanoic acid, 2-hydroxy-, δ-lactone,3,4,5,6,7,8-Hexahydrocoumarin,Hexahydrocoumarin,δ-1,6-2-Oxabicyclo(4.4.0)decen-3-one Nombre IUPAC: 3,4,5,6,7,8-hexahidrocromeno-2-uno SMILES: O=C1CCC2=C(CCCC2)O1

Sinónimo Coumarin, 3,4,5,6,7,8-hexahydro- (6CI,7CI,8CI),3,4,5,6,7,8-Hexahydro-2H-1-benzopyran-2-one,1-Cyclohexene-1-propanoic acid, 2-hydroxy-, δ-lactone,3,4,5,6,7,8-Hexahydrocoumarin,Hexahydrocoumarin,δ-1,6-2-Oxabicyclo(4.4.0)decen-3-one
Fórmula molecular C9 H12 O2
CAS 700-82-3
Peso molecular (g/mol) 152.19
SMILES O=C1CCC2=C(CCCC2)O1
Nombre IUPAC 3,4,5,6,7,8-hexahidrocromeno-2-uno
10

2-[(5-Fluoresceinil)aminocarbonil]etil Metanoetiosulfonato, TRC

CAS: 351330-42-2 Fórmula molecular: C24 H19 N O8 S2 Peso molecular (g/mol): 513.54 Nombre IUPAC: N-(3',6'-dihidroxi-3-oxospiro[2-benzofurano-1,9'-xanteno]-5-il)-3-metilsulfonilsulfanamida SMILES: CS(=O)(=O)SCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35

Fórmula molecular C24 H19 N O8 S2
CAS 351330-42-2
Peso molecular (g/mol) 513.54
SMILES CS(=O)(=O)SCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35
Nombre IUPAC N-(3',6'-dihidroxi-3-oxospiro[2-benzofurano-1,9'-xanteno]-5-il)-3-metilsulfonilsulfanamida
11

N-Benzyl(-)-Nebivolol, TRC

CAS: 1199945-26-0 Fórmula molecular: C29H31F2NO4 Peso molecular (g/mol): 495.56 Sinónimo: (αS,α'S,2R,2'S)-α,α'-[[(Phenylmethyl)imino]bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol; Nombre IUPAC: (1S)-2-[benzil-[(2S)-2-[(2S)-6-fluoro-3,4-dihidro-2H-cromeno-2-il]-2-hidroxietil]amino-1-[(2R)-6-fluoro-3,4-dihidro-2H-cromen-2-il]etanol 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

Sinónimo (αS,α'S,2R,2'S)-α,α'-[[(Phenylmethyl)imino]bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol;
Fórmula molecular C29H31F2NO4
CAS 1199945-26-0
Peso molecular (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
Nombre IUPAC (1S)-2-[benzil-[(2S)-2-[(2S)-6-fluoro-3,4-dihidro-2H-cromeno-2-il]-2-hidroxietil]amino-1-[(2R)-6-fluoro-3,4-dihidro-2H-cromen-2-il]etanol
12

Cromoglucato dietílico, TRC

CAS: 16150-45-1 Fórmula molecular: C27 H24 O11 Peso molecular (g/mol): 524.47 Sinónimo: 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) Nombre IUPAC: etil 5-[3-(2-etoxicarbonil-4-oxocromo-5-il)oxi-2-hidroxipropoxi]-4-oxcrofeno-2-carboxilato SMILES: CCOC(=O)C1=CC(=O)c2c(OCC(O)COc3cccc4OC(=CC(=O)c34)C(=O)OCC)cccc2O1

Sinónimo 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)
Fórmula molecular C27 H24 O11
CAS 16150-45-1
Peso molecular (g/mol) 524.47
SMILES CCOC(=O)C1=CC(=O)c2c(OCC(O)COc3cccc4OC(=CC(=O)c34)C(=O)OCC)cccc2O1
Nombre IUPAC etil 5-[3-(2-etoxicarbonil-4-oxocromo-5-il)oxi-2-hidroxipropoxi]-4-oxcrofeno-2-carboxilato
13

Rodamina 110, TRC

CAS: 13558-31-1 Fórmula molecular: C20 H14 N2 O3 . Cl H Peso molecular (g/mol): 366.8 Sinónimo: 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 Nombre IUPAC: ácido 2-(3-amino-6-iminoxanten-9-il)benzoico; clorhidrato SMILES: Cl.Nc1ccc2C(=C3C=CC(=N)C=C3Oc2c1)c4ccccc4C(=O)O

Sinónimo 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
Fórmula molecular C20 H14 N2 O3 . Cl H
CAS 13558-31-1
Peso molecular (g/mol) 366.8
SMILES Cl.Nc1ccc2C(=C3C=CC(=N)C=C3Oc2c1)c4ccccc4C(=O)O
Nombre IUPAC ácido 2-(3-amino-6-iminoxanten-9-il)benzoico; clorhidrato
15

(-)-Altenueno, TRC

CAS: 889101-41-1 Fórmula molecular: C15H16O6 Peso molecular (g/mol): 292.28 Sinónimo: 6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-, (2R,3R,4aR)-,(2R,3R,4aR)-2,3,4,4a-Tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-6H-dibenzo[b,d]pyran-6-one,(-)-Altenuene SMILES: COc1cc(O)c2C(=O)O[C@]3(C)C[C@@H](O)[C@H](O)C=C3c2c1

Sinónimo 6H-Dibenzo[b,d]pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-, (2R,3R,4aR)-,(2R,3R,4aR)-2,3,4,4a-Tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-6H-dibenzo[b,d]pyran-6-one,(-)-Altenuene
Fórmula molecular C15H16O6
CAS 889101-41-1
Peso molecular (g/mol) 292.28
SMILES COc1cc(O)c2C(=O)O[C@]3(C)C[C@@H](O)[C@H](O)C=C3c2c1