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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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2

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

Fluoresceína 5-Maleimida (90%), TRC

CAS: 75350-46-8 Fórmula molecular: C24 H13 N O7 Peso molecular (g/mol): 427.36 Sinónimo: Fluorescein 5-Maleimide Nombre IUPAC: 1-(3',6'-dihidroxi-3-oxorifeno[2-benzofurano-1,9'-xanteno]-5-il)pirol-2,5-dione SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N6C(=O)C=CC6=O)c1

Sinónimo Fluorescein 5-Maleimide
Fórmula molecular C24 H13 N O7
CAS 75350-46-8
Peso molecular (g/mol) 427.36
SMILES Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N6C(=O)C=CC6=O)c1
Nombre IUPAC 1-(3',6'-dihidroxi-3-oxorifeno[2-benzofurano-1,9'-xanteno]-5-il)pirol-2,5-dione
8

Hematoxilina (grado técnico), TRC

CAS: 517-28-2 Fórmula molecular: C16 H14 O6 Peso molecular (g/mol): 302.279 Sinónimo: Hematoxylin Nombre IUPAC: (6aS,11bR)-7,11b-dihidro-6H-indeno[2,1-c]cromeno-3,4,6a,9,10-pentol SMILES: Oc1cc2C[C@@]3(O)COc4c(O)c(O)ccc4[C@H]3c2cc1O

Sinónimo Hematoxylin
Fórmula molecular C16 H14 O6
CAS 517-28-2
Peso molecular (g/mol) 302.279
SMILES Oc1cc2C[C@@]3(O)COc4c(O)c(O)ccc4[C@H]3c2cc1O
Nombre IUPAC (6aS,11bR)-7,11b-dihidro-6H-indeno[2,1-c]cromeno-3,4,6a,9,10-pentol
9

LY 294002, TRC

CAS: 154447-36-6 Fórmula molecular: C19H17NO3 Peso molecular (g/mol): 307.34 Sinónimo: 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

Sinónimo 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
Fórmula molecular C19H17NO3
CAS 154447-36-6
Peso molecular (g/mol) 307.34
SMILES COC(=O)C[C@@H](Br)C(=O)OC
10

(1S,2R)-2-(2-Benzilamino-1-hidroxietil)-6-fluorocroma, TRC

CAS: 129050-27-7 Fórmula molecular: C18H20FNO2 Peso molecular (g/mol): 301.36 Sinónimo: 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 Nombre IUPAC: (1S)-2-(benzilamino)-1-[(2R)-6-fluoro-3,4-dihidro-2H-cromen-2-il]etanol SMILES: O[C@@H](CNCc1ccccc1)[C@H]2CCc3cc(F)ccc3O2

Sinónimo 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
Fórmula molecular C18H20FNO2
CAS 129050-27-7
Peso molecular (g/mol) 301.36
SMILES O[C@@H](CNCc1ccccc1)[C@H]2CCc3cc(F)ccc3O2
Nombre IUPAC (1S)-2-(benzilamino)-1-[(2R)-6-fluoro-3,4-dihidro-2H-cromen-2-il]etanol
11

2',7'-Diacetato de diclorofluoresceína, TRC

CAS: 2044-85-1 Fórmula molecular: C24H14Cl2O7 Peso molecular (g/mol): 485.27 Sinónimo: 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

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

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
14

(-)-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
15

FlAsH-EDT2, TRC

CAS: 212118-77-9 Fórmula molecular: C24 H18 As2 O5 S4 Peso molecular (g/mol): 664.5 Nombre IUPAC: ácido benzoico 2-[4,5-bis(1,3,2-ditiarsolano-2-il)-3-hidroxi-6-oxxanteno-9-il]ácido benzoico SMILES: OC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c2ccc(O)c4[As]5SCCS5)[As]6SCCS6

Fórmula molecular C24 H18 As2 O5 S4
CAS 212118-77-9
Peso molecular (g/mol) 664.5
SMILES OC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c2ccc(O)c4[As]5SCCS5)[As]6SCCS6
Nombre IUPAC ácido benzoico 2-[4,5-bis(1,3,2-ditiarsolano-2-il)-3-hidroxi-6-oxxanteno-9-il]ácido benzoico