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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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1 – 15 of 69 results
1

3-Isochromanone, Thermo Scientific Chemicals

CAS: 4385-35-7 Molecular Formula: 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

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
Molecular Formula C9H8O2
3

Citrinin, MP Biomedicals™

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

PubChem CID 54680783
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
Synonym 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
IUPAC Name (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid
InChI Key CBGDIJWINPWWJW-IYSWYEEDSA-N
Molecular Formula C13H14O5
5

AZD 8186, TRC

CAS: 1627494-13-6 Chemical Name or Material: 8-[(1R)-1-[(3,5-Difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide Formula Weight: 457.1813 InChI Formula: InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1 IUPAC Name: 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide Molecular Formula: C24H25F2N3O4 Molecular Weight (g/mol): 457.48 Recommended Storage: -20°C SMILES: C[C@@H](Nc1cc(F)cc(F)c1)c2cc(cc3C(=O)C=C(Oc23)N4CCOCC4)C(=O)N(C)C Synonym: AZD 8186,8-[(1R)-1-[(3,5-Difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide

CAS 1627494-13-6
Molecular Weight (g/mol) 457.48
InChI Formula InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1
Chemical Name or Material 8-[(1R)-1-[(3,5-Difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide
Synonym AZD 8186,8-[(1R)-1-[(3,5-Difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-4H-1-benzopyran-6-carboxamide
SMILES C[C@@H](Nc1cc(F)cc(F)c1)c2cc(cc3C(=O)C=C(Oc23)N4CCOCC4)C(=O)N(C)C
Recommended Storage -20°C
Molecular Formula C24H25F2N3O4
IUPAC Name 8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
Formula Weight 457.1813
6

Galaxolide (Mixture of Diastereomers), TRC

CAS: 1222-05-5 Chemical Name or Material: HHCB (Galaxolide) Formula Weight: 258.1984 InChI Formula: InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3 IUPAC Name: 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene Molecular Formula: C18 H26 O Molecular Weight (g/mol): 258.4 Recommended Storage: -20°C 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-

CAS 1222-05-5
Molecular Weight (g/mol) 258.4
InChI Formula InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
Chemical Name or Material HHCB (Galaxolide)
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-
SMILES CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C
Recommended Storage -20°C
Molecular Formula C18 H26 O
IUPAC Name 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
Formula Weight 258.1984
7

Hexahydrocoumarin, TRC

CAS: 700-82-3 Chemical Name or Material: Hexahydrocoumarin Formula Weight: 152.0837 InChI Formula: InChI=1S/C9H12O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H2 IUPAC Name: 3,4,5,6,7,8-hexahydrochromen-2-one Molecular Formula: C9 H12 O2 Molecular Weight (g/mol): 152.19 Recommended Storage: -20°C 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

CAS 700-82-3
Molecular Weight (g/mol) 152.19
InChI Formula InChI=1S/C9H12O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H2
Chemical Name or Material Hexahydrocoumarin
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
SMILES O=C1CCC2=C(CCCC2)O1
Recommended Storage -20°C
Molecular Formula C9 H12 O2
IUPAC Name 3,4,5,6,7,8-hexahydrochromen-2-one
Formula Weight 152.0837
8

FlAsH-EDT2, TRC

CAS: 212118-77-9 Molecular Formula: C24 H18 As2 O5 S4 Molecular Weight (g/mol): 664.5 IUPAC Name: 2-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid SMILES: OC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c2ccc(O)c4[As]5SCCS5)[As]6SCCS6

CAS 212118-77-9
Molecular Weight (g/mol) 664.5
SMILES OC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c2ccc(O)c4[As]5SCCS5)[As]6SCCS6
IUPAC Name 2-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid
Molecular Formula C24 H18 As2 O5 S4
9

Cromolyn Disodium Salt, TRC

CAS: 15826-37-6 Molecular Formula: C23 H14 O11 . 2 Na Molecular Weight (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-oxochromene-2-carboxylate SMILES: [Na+].[Na+].OC(COc1cccc2OC(=CC(=O)c12)C(=O)[O-])COc3cccc4OC(=CC(=O)c34)C(=O)[O-]

CAS 15826-37-6
Molecular Weight (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
IUPAC Name disodium;5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
Molecular Formula C23 H14 O11 . 2 Na
10

LY 294002, TRC

CAS: 154447-36-6 Molecular Formula: C19H17NO3 Molecular Weight (g/mol): 307.34 Synonym: 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

CAS 154447-36-6
Molecular Weight (g/mol) 307.34
SMILES COC(=O)C[C@@H](Br)C(=O)OC
Synonym 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
Molecular Formula C19H17NO3
12

Trolox, TRC

CAS: 53188-07-1 Chemical Name or Material: Trolox Formula Weight: 250.1205 InChI Formula: InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17) IUPAC Name: 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid Molecular Formula: C14 H18 O4 Molecular Weight (g/mol): 250.2903 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: +4°C 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

Percent Purity >95%
CAS 53188-07-1
Molecular Weight (g/mol) 250.2903
InChI Formula InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
Chemical Name or Material Trolox
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
SMILES CC1=C(C2=C(C(C)=C1O)CCC(C)(C(O)=O)O2)C
Recommended Storage +4°C
Purity Grade Notes HPLC
Molecular Formula C14 H18 O4
IUPAC Name 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
Formula Weight 250.1205
13

Mangiferin, TRC

CAS: 4773-96-0 Chemical Name or Material: Mangiferin InChI Formula: InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1 IUPAC Name: 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one Molecular Formula: C19 H18 O11 Molecular Weight (g/mol): 422.34

CAS 4773-96-0
Molecular Weight (g/mol) 422.34
InChI Formula InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
Chemical Name or Material Mangiferin
Molecular Formula C19 H18 O11
IUPAC Name 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
14

2',7'-Dichlorofluorescein diacetate, TRC

CAS: 2044-85-1 Chemical Name or Material: 2',7'-Dichlorofluorescein diacetate Formula Weight: 484.0117 InChI Formula: InChI=1S/C24H14Cl2O7/c1-11(27)30-21-9-19-15(7-17(21)25)24(14-6-4-3-5-13(14)23(29)33-24)16-8-18(26)22(31-12(2)28)10-20(16)32-19/h3-10H,1-2H3 Molecular Formula: C24H14Cl2O7 Molecular Weight (g/mol): 485.27 Recommended Storage: -20°C SMILES: CC(=O)Oc1cc2Oc3cc(OC(=O)C)c(Cl)cc3C4(OC(=O)c5ccccc45)c2cc1Cl Synonym: MFCD 37501,3',6'-Bis(acetyloxy)-2',7'-dichlorospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

CAS 2044-85-1
Molecular Weight (g/mol) 485.27
InChI Formula InChI=1S/C24H14Cl2O7/c1-11(27)30-21-9-19-15(7-17(21)25)24(14-6-4-3-5-13(14)23(29)33-24)16-8-18(26)22(31-12(2)28)10-20(16)32-19/h3-10H,1-2H3
Chemical Name or Material 2',7'-Dichlorofluorescein diacetate
Synonym 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
Recommended Storage -20°C
Molecular Formula C24H14Cl2O7
Formula Weight 484.0117
15

N-Benzyl (-)-Nebivolol, TRC

CAS: 1199945-26-0 Chemical Name or Material: N-Benzyl (-)-Nebivolol InChI Formula: InChI=1S/C29H31F2NO4/c30-22-8-12-26-20(14-22)6-10-28(35-26)24(33)17-32(16-19-4-2-1-3-5-19)18-25(34)29-11-7-21-15-23(31)9-13-27(21)36-29/h1-5,8-9,12-15,24-25,28-29,33-34H,6-7,10-11,16-18H2/t24-,25-,28-,29+/m0/s1 IUPAC Name: (1S)-2-[benzyl-[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol Molecular Formula: C29H31F2NO4 Molecular Weight (g/mol): 495.56 Recommended Storage: +4°C 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;

CAS 1199945-26-0
Molecular Weight (g/mol) 495.56
InChI Formula InChI=1S/C29H31F2NO4/c30-22-8-12-26-20(14-22)6-10-28(35-26)24(33)17-32(16-19-4-2-1-3-5-19)18-25(34)29-11-7-21-15-23(31)9-13-27(21)36-29/h1-5,8-9,12-15,24-25,28-29,33-34H,6-7,10-11,16-18H2/t24-,25-,28-,29+/m0/s1
Chemical Name or Material N-Benzyl (-)-Nebivolol
Synonym (αS,α'S,2R,2'S)-α,α'-[[(Phenylmethyl)imino]bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol;
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
Recommended Storage +4°C
Molecular Formula C29H31F2NO4
IUPAC Name (1S)-2-[benzyl-[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol