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Benzopyrane

Organische polyzyklische Verbindungen, die aus einem mit einem heterozyklischen Pyranring fusionierten Benzol bestehen; Pyranringe sind sechsgliedrige, nicht aromatische Ringe mit fünf Kohlenstoffatomen, einem Sauerstoffatom und zwei Doppelbindungen.
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2

3-Isochromanon, Thermo Scientific Chemicals

CAS: 4385-35-7 Summenformel: C9H8O2 Molekulargewicht (g/mol): 148.16 InChI-Schlüssel: ILHLUZUMRJQEAH-UHFFFAOYSA-N IUPAC-Name: 3,4-Dihydro-1H-2-benzopyran-3-on SMILES: O=C1CC2=CC=CC=C2CO1

InChI-Schlüssel ILHLUZUMRJQEAH-UHFFFAOYSA-N
IUPAC-Name 3,4-Dihydro-1H-2-benzopyran-3-on
CAS 4385-35-7
Molekulargewicht (g/mol) 148.16
SMILES O=C1CC2=CC=CC=C2CO1
Summenformel C9H8O2
3

Citrinin, MP Biomedicals™

CAS: 518-75-2 Summenformel: C13H14O5 Molekulargewicht (g/mol): 250.25 InChI-Schlüssel: CBGDIJWINPWWJW-IYSWYEEDSA-N Synonym: 3R,4S-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carbonsäure,3H-2-Benzopyran-7-carbonsäure, 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-carbonsäure,4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carbonsäure,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-Dihydroisochromen-7-Carbonsäure SMILES: CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C

InChI-Schlüssel CBGDIJWINPWWJW-IYSWYEEDSA-N
IUPAC-Name (3R,4S)-6-Hydroxy-3,4,5-Trimethyl-8-Oxo-3,4-Dihydroisochromen-7-Carbonsäure
PubChem CID 54680783
CAS 518-75-2
Molekulargewicht (g/mol) 250.25
SMILES CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
Synonym 3R,4S-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carbonsäure,3H-2-Benzopyran-7-carbonsäure, 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-carbonsäure,4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carbonsäure,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
Summenformel C13H14O5
4

Hexahydrocoumarin, TRC

CAS: 700-82-3 Summenformel: C9 H12 O2 Molekulargewicht (g/mol): 152.19 Synonym: 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 IUPAC-Name: 3,4,5,6,7,8-Hexahydrochromen-2-eins SMILES: O=C1CCC2=C(CCCC2)O1

IUPAC-Name 3,4,5,6,7,8-Hexahydrochromen-2-eins
CAS 700-82-3
Molekulargewicht (g/mol) 152.19
SMILES O=C1CCC2=C(CCCC2)O1
Synonym 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
Summenformel C9 H12 O2
5

N-Benzyl (-)-Nebivolol, TRC

CAS: 1199945-26-0 Summenformel: C29H31F2NO4 Molekulargewicht (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-Fluor-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

IUPAC-Name (1S)-2-[Benzyl-[(2S)-2-[(2S)-6-Fluor-3,4-dihydro-2H-Chromen-2-yl]-2-Hydroxyethyl]Amino]-1-[(2R)-6-Fluoro-3,4-Dihydro-2H-Chromen-2-yl]ethanol
CAS 1199945-26-0
Molekulargewicht (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;
Summenformel C29H31F2NO4
6

2-(Chroman-4-yl)essigsäure, TRC

CAS: 5655-26-5 Summenformel: C11H12O3 Molekulargewicht (g/mol): 192.21 IUPAC-Name: 2-(3,4-Dihydro-2H-Chromen-4-yl)essigsäure SMILES: OC(=O)CC1CCOc2ccccc12

IUPAC-Name 2-(3,4-Dihydro-2H-Chromen-4-yl)essigsäure
CAS 5655-26-5
Molekulargewicht (g/mol) 192.21
SMILES OC(=O)CC1CCOc2ccccc12
Summenformel C11H12O3
8

Cromolyn-Dinatriumsalz, TRC

CAS: 15826-37-6 Summenformel: C23 H14 O11 . 2 Na Molekulargewicht (g/mol): 512.33 Synonym: Sodium Cromoglicate,5,5'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylic acid sodium salt (1:2),5,5'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylic acid disodium salt,5,5'-[(2-Hydroxytrimethylene)dioxy]bis[4-oxo-4H-1-benzopyran-2-carboxylic acid disodium salt,1,3-Bis(2-carboxychromon-7-yloxy)-2-hydroxypropane disodium salt,4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, sodium salt (1:2),4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, disodium salt (9CI),4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxytrimethylene)dioxy]bis[4-oxo-, disodium salt (8CI),1,3-Bis(2-carboxychromon-7-yloxy)-2-hydroxypropane disodium salt,Aarane,Alercrom,Alerion,Allergocrom,Altoderm,Colimune,Crolom,Cromoglycate,Cromoglycate disodium,Cromolyn disodium salt,Cromolyn sodium,Cromovet,DNCG,DSCG,Disodium 1,3-bis(2-carboxy-5-chromonyloxy)-2-propanol,Disodium 1,3-bis(2-carboxychromon-5-yloxy)-2-hydroxypropane,Disodium 1,3-bis(2-carboxychromon-5-yloxy)propan-2-ol,Disodium 5,5'-[(2-hydroxytrimethylene)dioxy]bis[4-oxo-4H-1-benzopyran-2-carboxylate],Disodium chromoglycate,Disodium cromoglycate,FPL 670,Fisonair,Fivent,Gastrocrom,Gastrofrenal,Inostral,Intal,Intal Forte,Intal UD,Introl,Irtan,Lomudal,Lomupren,Lomusol,Lomuspray,Nalcrom,Nalcron,NasalCrom,Nasmil,Nasotal,Opticrom,Rynacrom,Sodium cromoglycate,Sodium cromolyn,Sofro,Vividrin IUPAC-Name: Disodium; 5-[3-(2-Carboxylato-4-Oxochromen-5-yl)Oxy-2-Hydroxypropoxy]-4-Oxochromen-2-Carboxylat SMILES: [Na+].[Na+].OC(COc1cccc2OC(=CC(=O)c12)C(=O)[O-])COc3cccc4OC(=CC(=O)c34)C(=O)[O-]

IUPAC-Name Disodium; 5-[3-(2-Carboxylato-4-Oxochromen-5-yl)Oxy-2-Hydroxypropoxy]-4-Oxochromen-2-Carboxylat
CAS 15826-37-6
Molekulargewicht (g/mol) 512.33
SMILES [Na+].[Na+].OC(COc1cccc2OC(=CC(=O)c12)C(=O)[O-])COc3cccc4OC(=CC(=O)c34)C(=O)[O-]
Synonym Sodium Cromoglicate,5,5'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylic acid sodium salt (1:2),5,5'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylic acid disodium salt,5,5'-[(2-Hydroxytrimethylene)dioxy]bis[4-oxo-4H-1-benzopyran-2-carboxylic acid disodium salt,1,3-Bis(2-carboxychromon-7-yloxy)-2-hydroxypropane disodium salt,4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, sodium salt (1:2),4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, disodium salt (9CI),4H-1-Benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxytrimethylene)dioxy]bis[4-oxo-, disodium salt (8CI),1,3-Bis(2-carboxychromon-7-yloxy)-2-hydroxypropane disodium salt,Aarane,Alercrom,Alerion,Allergocrom,Altoderm,Colimune,Crolom,Cromoglycate,Cromoglycate disodium,Cromolyn disodium salt,Cromolyn sodium,Cromovet,DNCG,DSCG,Disodium 1,3-bis(2-carboxy-5-chromonyloxy)-2-propanol,Disodium 1,3-bis(2-carboxychromon-5-yloxy)-2-hydroxypropane,Disodium 1,3-bis(2-carboxychromon-5-yloxy)propan-2-ol,Disodium 5,5'-[(2-hydroxytrimethylene)dioxy]bis[4-oxo-4H-1-benzopyran-2-carboxylate],Disodium chromoglycate,Disodium cromoglycate,FPL 670,Fisonair,Fivent,Gastrocrom,Gastrofrenal,Inostral,Intal,Intal Forte,Intal UD,Introl,Irtan,Lomudal,Lomupren,Lomusol,Lomuspray,Nalcrom,Nalcron,NasalCrom,Nasmil,Nasotal,Opticrom,Rynacrom,Sodium cromoglycate,Sodium cromolyn,Sofro,Vividrin
Summenformel C23 H14 O11 . 2 Na
9

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

CAS: 25144-18-7 Summenformel: C14H12O Molekulargewicht (g/mol): 196.24 Synonym: (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

CAS 25144-18-7
Molekulargewicht (g/mol) 196.24
SMILES O1[C@@H]([C@H]1c2ccccc2)c3ccccc3
Synonym (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
Summenformel C14H12O
11

Galaxolid (Mischung von Diastereomeren), TRC

CAS: 1222-05-5 Summenformel: C18 H26 O Molekulargewicht (g/mol): 258.4 Synonym: 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran,1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyrane,1,3,4,6,7,8-Hexahydro-4,6,6,8,8,8-hexamethylcyclopenta-2-benzopyran,4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene,Abbalide,Galaxolide,Galaxolide 50,Galaxolide 50BB,Galaxolide 50IPM,Galaxolide White,HHCB,Pearlide,Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl- IUPAC-Name: 4,6,6,7,8,8-Hexamethyl-1,3,4,7-Tetrahydrocyclopenta[g]Isochromen SMILES: CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C

IUPAC-Name 4,6,6,7,8,8-Hexamethyl-1,3,4,7-Tetrahydrocyclopenta[g]Isochromen
CAS 1222-05-5
Molekulargewicht (g/mol) 258.4
SMILES CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C
Synonym 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran,1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyrane,1,3,4,6,7,8-Hexahydro-4,6,6,8,8,8-hexamethylcyclopenta-2-benzopyran,4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene,Abbalide,Galaxolide,Galaxolide 50,Galaxolide 50BB,Galaxolide 50IPM,Galaxolide White,HHCB,Pearlide,Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-
Summenformel C18 H26 O
12

FlAsH-EDT2, TRC

CAS: 212118-77-9 Summenformel: C24 H18 As2 O5 S4 Molekulargewicht (g/mol): 664.5 IUPAC-Name: 2-[4,5-bis(1,3,2-Dithiaarsolan-2-yl)-3-Hydroxy-6-Oxoxanthen-9-yl] Benzoesäure SMILES: OC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c2ccc(O)c4[As]5SCCS5)[As]6SCCS6

IUPAC-Name 2-[4,5-bis(1,3,2-Dithiaarsolan-2-yl)-3-Hydroxy-6-Oxoxanthen-9-yl] Benzoesäure
CAS 212118-77-9
Molekulargewicht (g/mol) 664.5
SMILES OC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c2ccc(O)c4[As]5SCCS5)[As]6SCCS6
Summenformel C24 H18 As2 O5 S4
13

(1S,2R)-2-(2-Benzylamino-1-Hydroxyethyl)-6-Fluorochroman, TRC

CAS: 129050-27-7 Summenformel: C18H20FNO2 Molekulargewicht (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-Fluor-3,4-Dihydro-2H-Chromen-2-yl]ethanol SMILES: O[C@@H](CNCc1ccccc1)[C@H]2CCc3cc(F)ccc3O2

IUPAC-Name (1S)-2-(Benzylamino)-1-[(2R)-6-Fluor-3,4-Dihydro-2H-Chromen-2-yl]ethanol
CAS 129050-27-7
Molekulargewicht (g/mol) 301.36
SMILES O[C@@H](CNCc1ccccc1)[C@H]2CCc3cc(F)ccc3O2
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
Summenformel C18H20FNO2
14

2-[(5-Fluoresceinyl)aminocarbonyl]ethylethyl, TRC

CAS: 351330-42-2 Summenformel: C24 H19 N O8 S2 Molekulargewicht (g/mol): 513.54 IUPAC-Name: N-(3',6'-Dihydroxy-3-oxospiro[2-Benzofuran-1,9'-Xanthen]-5-yl)-3-Methylsulfonylsulfanylpropanamid SMILES: CS(=O)(=O)SCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35

IUPAC-Name N-(3',6'-Dihydroxy-3-oxospiro[2-Benzofuran-1,9'-Xanthen]-5-yl)-3-Methylsulfonylsulfanylpropanamid
CAS 351330-42-2
Molekulargewicht (g/mol) 513.54
SMILES CS(=O)(=O)SCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35
Summenformel C24 H19 N O8 S2
15

Diethylkromoglikat, TRC

CAS: 16150-45-1 Summenformel: C27 H24 O11 Molekulargewicht (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-Hydroxypropoxid]-4-Oxochromin-2-Carboxylat SMILES: CCOC(=O)C1=CC(=O)c2c(OCC(O)COc3cccc4OC(=CC(=O)c34)C(=O)OCC)cccc2O1

IUPAC-Name Ethyl 5-[3-(2-Ethoxycarbonyl-4-Oxochromen-5-yl)Oxy-2-Hydroxypropoxid]-4-Oxochromin-2-Carboxylat
CAS 16150-45-1
Molekulargewicht (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)
Summenformel C27 H24 O11