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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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Molecular Weight (g/mol)

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Quantità

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Forma fisica

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Grado

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1

3-Isochromanone, Thermo Scientific Chemicals

CAS: 4385-35-7 Formula molecolare: 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

Formula molecolare C9H8O2
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
3

Citrinin, MP Biomedicals™

CAS: 518-75-2 Formula molecolare: C13H14O5 Molecular Weight (g/mol): 250.25 InChI Key: CBGDIJWINPWWJW-IYSWYEEDSA-N Sinonimo: 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

Sinonimo 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
Formula molecolare C13H14O5
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
IUPAC Name (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid
InChI Key CBGDIJWINPWWJW-IYSWYEEDSA-N
4

(+)-Nebivolol, TRC

CAS: 118457-15-1 Formula molecolare: C22 H25 F2 N O4 Molecular Weight (g/mol): 405.44 Sinonimo: (αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol,2H-1-Benzopyran-2-methanol, α,α'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, [2R-[2R*[R*[R*(S*)]]]]-,(+)-Nebivolol,(S,R,R,R)-Nebivolol,(αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol],Dexnebivolol,R 67138,d-Nebivolol IUPAC Name: (1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol SMILES: O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]3CCc4cc(F)ccc4O3

Sinonimo (αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol,2H-1-Benzopyran-2-methanol, α,α'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, [2R-[2R*[R*[R*(S*)]]]]-,(+)-Nebivolol,(S,R,R,R)-Nebivolol,(αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol],Dexnebivolol,R 67138,d-Nebivolol
Formula molecolare C22 H25 F2 N O4
CAS 118457-15-1
Molecular Weight (g/mol) 405.44
SMILES O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]3CCc4cc(F)ccc4O3
IUPAC Name (1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
6

Fluorescein 6-Isothiocyanate, Isomer 2, 95%, TRC

CAS: 18861-78-4 Formula molecolare: C21 H11 N O5 S Molecular Weight (g/mol): 389.38 Sinonimo: Fluorescein 6-Isothiocyanate, Isomer 2 IUPAC Name: 3',6'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccc(cc45)N=C=S)c1

Sinonimo Fluorescein 6-Isothiocyanate, Isomer 2
Formula molecolare C21 H11 N O5 S
CAS 18861-78-4
Molecular Weight (g/mol) 389.38
SMILES Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccc(cc45)N=C=S)c1
IUPAC Name 3',6'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
7

Chromoionophore VI, TRC

CAS: 138833-47-3 Formula molecolare: C38H46Br2O5 Molecular Weight (g/mol): 742.59 Sinonimo: 4',5'-Dibromofluorescein Octadecyl Ester,ETH 7075,2-(4,5-Dibromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic Acid Octadecyl Ester IUPAC Name: octadecyl 2-(4,5-dibromo-3-hydroxy-6-oxoxanthen-9-yl)benzoate SMILES: CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c(Br)c(O)ccc24)Br

Sinonimo 4',5'-Dibromofluorescein Octadecyl Ester,ETH 7075,2-(4,5-Dibromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic Acid Octadecyl Ester
Formula molecolare C38H46Br2O5
CAS 138833-47-3
Molecular Weight (g/mol) 742.59
SMILES CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c(Br)c(O)ccc24)Br
IUPAC Name octadecyl 2-(4,5-dibromo-3-hydroxy-6-oxoxanthen-9-yl)benzoate
8

Xanthene-9-carboxamide, TRC

CAS: 5813-90-1 Formula molecolare: C14H11NO2 Molecular Weight (g/mol): 225.24 IUPAC Name: 9H-xanthene-9-carboxamide SMILES: NC(=O)C1c2ccccc2Oc3ccccc13

Formula molecolare C14H11NO2
CAS 5813-90-1
Molecular Weight (g/mol) 225.24
SMILES NC(=O)C1c2ccccc2Oc3ccccc13
IUPAC Name 9H-xanthene-9-carboxamide
9

5(6)-Carboxyfluorescein, TRC

CAS: 72088-94-9 Formula molecolare: 2 C21 H12 O7 Molecular Weight (g/mol): 752.63 IUPAC Name: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid SMILES: OC(=O)c1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35.OC(=O)c6ccc7C(=O)OC8(c9ccc(O)cc9Oc%10cc(O)ccc8%10)c7c6

Formula molecolare 2 C21 H12 O7
CAS 72088-94-9
Molecular Weight (g/mol) 752.63
SMILES OC(=O)c1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35.OC(=O)c6ccc7C(=O)OC8(c9ccc(O)cc9Oc%10cc(O)ccc8%10)c7c6
IUPAC Name 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
10

5-Carboxyfluorescein-N-hydroxysuccinimide Ester, TRC

CAS: 92557-80-7 Formula molecolare: C25 H15 N O9 Molecular Weight (g/mol): 473.39 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)C(=O)ON6C(=O)CCC6=O)c1

Formula molecolare C25 H15 N O9
CAS 92557-80-7
Molecular Weight (g/mol) 473.39
SMILES Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)C(=O)ON6C(=O)CCC6=O)c1
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate
11

7-Chloro-4-oxo-4H-chromene-2-carboxylic Acid, TRC

CAS: 114741-22-9 Formula molecolare: C10H5ClO4 Molecular Weight (g/mol): 224.6 IUPAC Name: 7-chloro-4-oxochromene-2-carboxylic acid SMILES: OC(=O)C1=CC(=O)c2ccc(Cl)cc2O1

Formula molecolare C10H5ClO4
CAS 114741-22-9
Molecular Weight (g/mol) 224.6
SMILES OC(=O)C1=CC(=O)c2ccc(Cl)cc2O1
IUPAC Name 7-chloro-4-oxochromene-2-carboxylic acid
13

9H-xanthen-9-ylacetic acid, TRC

CAS: 1217-58-9 Formula molecolare: C15H12O3 Molecular Weight (g/mol): 240.25 IUPAC Name: 2-(9H-xanthen-9-yl)acetic acid SMILES: OC(=O)CC1c2ccccc2Oc3ccccc13

Formula molecolare C15H12O3
CAS 1217-58-9
Molecular Weight (g/mol) 240.25
SMILES OC(=O)CC1c2ccccc2Oc3ccccc13
IUPAC Name 2-(9H-xanthen-9-yl)acetic acid
14

Rhodamine 6G, TRC

CAS: 989-38-8 Formula molecolare: C28 H30 N2 O3 . Cl H Molecular Weight (g/mol): 479.01 Sinonimo: Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride (8CI),Rhodamine 6GCP (6CI),Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, chloride (9CI),6-Carboxyrhodamine,Aizen Rhodamine 6GCP,Basic Red 1,Basonyl Red 482,Basonyl Red 483,C.I. 45160,C.I. Basic Red 1,Calcozine Red 6G,Calcozine Rhodamine 6GX,Eljon Pink Toner,Exciton 590,Fanal Pink B,Fanal Pink GFK,Fanal Red 25532,Flexo Red 482,Heliostable Brilliant Pink B extra,Mitsui Rhodamine 6GCP,NSC 36345,Nyco Liquid Red GF,R 634,R 6G,Rh 6G,Rhodamin 6G,Rhodamine 4GD,Rhodamine 4GH,Rhodamine 5GDN,Rhodamine 5GDN Extra,Rhodamine 5GL,Rhodamine 6G,Rhodamine 6G Extra,Rhodamine 6G Extra Base,Rhodamine 6G chloride,Rhodamine 6GB,Rhodamine 6GBN,Rhodamine 6GD,Rhodamine 6GDN,Rhodamine 6GDN Extra,Rhodamine 6GEx ethyl ester,Rhodamine 6GH,Rhodamine 6GO,Rhodamine 6GX,Rhodamine 6JH,Rhodamine 6JH-SA,Rhodamine 6JH-SA Extra 1150,Rhodamine 6Zh-DN,Rhodamine F 5G,Rhodamine F 5GL,Rhodamine GDN,Rhodamine GDN Extra,Rhodamine Y 20-7425,Rhodamine Zh,Silosuper Pink B,Vali Fast Red 1308 IUPAC Name: ethyl 2-[(6E)-3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate;hydrochloride SMILES: Cl.CCNc1cc2OC3=C\C(=N/CC)\C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C

Sinonimo Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monohydrochloride (8CI),Rhodamine 6GCP (6CI),Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, chloride (9CI),6-Carboxyrhodamine,Aizen Rhodamine 6GCP,Basic Red 1,Basonyl Red 482,Basonyl Red 483,C.I. 45160,C.I. Basic Red 1,Calcozine Red 6G,Calcozine Rhodamine 6GX,Eljon Pink Toner,Exciton 590,Fanal Pink B,Fanal Pink GFK,Fanal Red 25532,Flexo Red 482,Heliostable Brilliant Pink B extra,Mitsui Rhodamine 6GCP,NSC 36345,Nyco Liquid Red GF,R 634,R 6G,Rh 6G,Rhodamin 6G,Rhodamine 4GD,Rhodamine 4GH,Rhodamine 5GDN,Rhodamine 5GDN Extra,Rhodamine 5GL,Rhodamine 6G,Rhodamine 6G Extra,Rhodamine 6G Extra Base,Rhodamine 6G chloride,Rhodamine 6GB,Rhodamine 6GBN,Rhodamine 6GD,Rhodamine 6GDN,Rhodamine 6GDN Extra,Rhodamine 6GEx ethyl ester,Rhodamine 6GH,Rhodamine 6GO,Rhodamine 6GX,Rhodamine 6JH,Rhodamine 6JH-SA,Rhodamine 6JH-SA Extra 1150,Rhodamine 6Zh-DN,Rhodamine F 5G,Rhodamine F 5GL,Rhodamine GDN,Rhodamine GDN Extra,Rhodamine Y 20-7425,Rhodamine Zh,Silosuper Pink B,Vali Fast Red 1308
Formula molecolare C28 H30 N2 O3 . Cl H
CAS 989-38-8
Molecular Weight (g/mol) 479.01
SMILES Cl.CCNc1cc2OC3=C\C(=N/CC)\C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C
IUPAC Name ethyl 2-[(6E)-3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate;hydrochloride
15

Sulfo Rhodamine Methanethiosulfonate, TRC

CAS: 386229-71-6 Formula molecolare: C30 H37 N3 O8 S4 Molecular Weight (g/mol): 695.89 Sinonimo: Xanthylium, 3,6-bis(diethylamino)-9-[4-[[[2-[(methylsulfonyl)thio]ethyl]amino]sulfonyl]-2-sulfophenyl]-, inner salt,MTS-rhodamine,Sulfo Rhodamine Methanethiosulfonate IUPAC Name: 2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-5-(2-methylsulfonylsulfanylethylsulfamoyl)benzenesulfonate SMILES: CCN(CC)c1ccc2c(c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)NCCSS(=O)(=O)C)c4ccc(cc4[o+]c2c1)N(CC)CC

Sinonimo Xanthylium, 3,6-bis(diethylamino)-9-[4-[[[2-[(methylsulfonyl)thio]ethyl]amino]sulfonyl]-2-sulfophenyl]-, inner salt,MTS-rhodamine,Sulfo Rhodamine Methanethiosulfonate
Formula molecolare C30 H37 N3 O8 S4
CAS 386229-71-6
Molecular Weight (g/mol) 695.89
SMILES CCN(CC)c1ccc2c(c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)NCCSS(=O)(=O)C)c4ccc(cc4[o+]c2c1)N(CC)CC
IUPAC Name 2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-5-(2-methylsulfonylsulfanylethylsulfamoyl)benzenesulfonate