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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

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
5

Fluorescein 5-Maleimid (90 %), TRC

CAS: 75350-46-8 Summenformel: C24 H13 N O7 Molekulargewicht (g/mol): 427.36 Synonym: Fluorescein 5-Maleimide IUPAC-Name: 1-(3',6'-Dihydroxy-3-Oxospiro[2-Benzofuran-1,9'-Xanthen]-5-yl)Pyrrol-2,5-Dion SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N6C(=O)C=CC6=O)c1

IUPAC-Name 1-(3',6'-Dihydroxy-3-Oxospiro[2-Benzofuran-1,9'-Xanthen]-5-yl)Pyrrol-2,5-Dion
CAS 75350-46-8
Molekulargewicht (g/mol) 427.36
SMILES Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N6C(=O)C=CC6=O)c1
Synonym Fluorescein 5-Maleimide
Summenformel C24 H13 N O7
6

(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
7

Trolox, TRC

CAS: 53188-07-1 Summenformel: C14 H18 O4 Molekulargewicht (g/mol): 250.2903 Synonym: 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic Acid,(±)-3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-Benzopyran-2-carboxylic Acid,(R,S)-6-Hydroxy-2,5,7,8-tetramethyl-2-chromanecarboxylic Acid,(±)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid,(±)-Trolox,6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene-2-carboxylic Acid,6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic Acid,Trolox C IUPAC-Name: 6-Hydroxy-2,5,7,8-Tetramethyl-3,4-Dihydrochromin-2-Carboxylsäure SMILES: CC1=C(C2=C(C(C)=C1O)CCC(C)(C(O)=O)O2)C

IUPAC-Name 6-Hydroxy-2,5,7,8-Tetramethyl-3,4-Dihydrochromin-2-Carboxylsäure
CAS 53188-07-1
Molekulargewicht (g/mol) 250.2903
SMILES CC1=C(C2=C(C(C)=C1O)CCC(C)(C(O)=O)O2)C
Synonym 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic Acid,(±)-3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-Benzopyran-2-carboxylic Acid,(R,S)-6-Hydroxy-2,5,7,8-tetramethyl-2-chromanecarboxylic Acid,(±)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid,(±)-Trolox,6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene-2-carboxylic Acid,6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic Acid,Trolox C
Summenformel C14 H18 O4
8

A 844606, TRC

CAS: 861119-08-6 Summenformel: C20H20N2O2 Molekulargewicht (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-9-1 SMILES: CN1CC2CN(CC2C1)c3ccc4Oc5ccccc5C(=O)c4c3

IUPAC-Name 2-(5-Methylhexahydropyrrolo[3,4-c]Pyrrol-2(1H)-yl)-9H-Xanthen-9-1
CAS 861119-08-6
Molekulargewicht (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
Summenformel C20H20N2O2
9

Präkokzän 2, TRC

CAS: 644-06-4 Summenformel: C13 H16 O3 Molekulargewicht (g/mol): 220.26 Synonym: Precocene 2,Precocene 2 IUPAC-Name: 6,7-Dimethoxy-2,2-Dimethylchromen SMILES: COc1cc2OC(C)(C)C=Cc2cc1OC

IUPAC-Name 6,7-Dimethoxy-2,2-Dimethylchromen
CAS 644-06-4
Molekulargewicht (g/mol) 220.26
SMILES COc1cc2OC(C)(C)C=Cc2cc1OC
Synonym Precocene 2,Precocene 2
Summenformel C13 H16 O3
10

Rhodamin 110, TRC

CAS: 13558-31-1 Summenformel: C20 H14 N2 O3 . Cl H Molekulargewicht (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)Benzoesäure;Hydrochlorid SMILES: Cl.Nc1ccc2C(=C3C=CC(=N)C=C3Oc2c1)c4ccccc4C(=O)O

IUPAC-Name 2-(3-Amino-6-Iminoxanthen-9-yl)Benzoesäure;Hydrochlorid
CAS 13558-31-1
Molekulargewicht (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
Summenformel C20 H14 N2 O3 . Cl H
11

Mangiferin, TRC

CAS: 4773-96-0 Summenformel: C19 H18 O11 Molekulargewicht (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-eins 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

IUPAC-Name 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-eins
CAS 4773-96-0
Molekulargewicht (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
Summenformel C19 H18 O11
12

Fluorescein Isothiocyanat (>85 %), TRC

CAS: 27072-45-3 Summenformel: C21H11NO5S Molekulargewicht (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
Molekulargewicht (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
Summenformel C21H11NO5S
13

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
14

(-)-Altenuene, TRC

CAS: 889101-41-1 Summenformel: C15H16O6 Molekulargewicht (g/mol): 292.28 Synonym: 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

CAS 889101-41-1
Molekulargewicht (g/mol) 292.28
SMILES COc1cc(O)c2C(=O)O[C@]3(C)C[C@@H](O)[C@H](O)C=C3c2c1
Synonym 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
Summenformel C15H16O6
15

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