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Isocoumarans

Description:

Compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Isocoumarans
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Items 37-48 of 72

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  1. Tofogliflozin(CSG 452)
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 1201913-82-7        Compound CID:  46908928
    Formula:  C22H26O6.H2O        Molecular Weight: 404.45
    IUPAC Name:  (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hydrate
    SMILES:  CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2.O
    InChIKey: ZXOCGDDVNPDRIW-NHFZGCSJSA-N
    InChI:  InChI=1S/C22H26O6.H2O/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22;/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3;1Hshow more
    Synonyms: tofogliflozin hydrate|1201913-82-7|TOFOGLIFLOZIN|Tofogliflozin (hydrate)|Tofogliflozin monohydrate|CSG452|Tofoglifloz...
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  2. Tofogliflozin Monohydrate（CSG 452 hydrate）
      Grade & Purity: 
    • ≥98%
    Cas Number: 1201913-82-7        Compound CID:  46908928
    Formula:  C22H26O6.H2O        Molecular Weight: 404.45
    IUPAC Name:  (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hydrate
    SMILES:  CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2.O
    InChIKey: ZXOCGDDVNPDRIW-NHFZGCSJSA-N
    InChI:  InChI=1S/C22H26O6.H2O/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22;/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3;1Hshow more
    Synonyms: (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hyd...
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  3. Mycophenolate mofetil
    Cas Number: 128794-94-5
    Formula:  C23H31NO7        Molecular Weight: 433.49
    IUPAC Name:  2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
    SMILES:  CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O
    InChIKey: RTGDFNSFWBGLEC-SYZQJQIISA-N
    InChI:  InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+
    Synonyms: 2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate | AB01274794...
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  4. 4-Aminophthalide
      Grade & Purity: 
    • ≥98%
    Cas Number: 59434-19-4
    Formula:  C8H7NO2        Molecular Weight: 149.14
    IUPAC Name:  4-amino-3H-2-benzofuran-1-one
    SMILES:  C1C2=C(C=CC=C2N)C(=O)O1
    InChIKey: KOIAVJZQMYBLJJ-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H7NO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4,9H2
    Synonyms: 4-Aminophthalide|59434-19-4|4-aminoisobenzofuran-1(3H)-one|4-AMINO-3H-2-BENZOFURAN-1-ONE|4-amino-1,3-dihydro-2-benzof...
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  5. 3-Butylidenephthalide
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 551-08-6        EC Number: 208-991-3
    Formula:  C12H12O2        Molecular Weight: 188.22
    IUPAC Name:  (3Z)-3-butylidene-2-benzofuran-1-one
    SMILES:  CCCC=C1C2=CC=CC=C2C(=O)O1
    InChIKey: WMBOCUXXNSOQHM-FLIBITNWSA-N
    InChI:  InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
    Synonyms: 551-08-6|n-butylidenephthalide|(Z)-Butylidenephthalide|3-Butylidenephthalide|72917-31-8|Butylidenephthalide|BdPh|1(3H...
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  6. 3-(4-Chlorobenzal)phthalide
    Cas Number: 20526-97-0
    Formula:  C15H9ClO2        Molecular Weight: 256.68
    IUPAC Name:  3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
    SMILES:  C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)Cl)OC2=O
    InChIKey: OHRFHJYUEWVXBD-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H
    Synonyms: C73888 | 3-(p-Chlorobenzylidene)phthalide | AKOS028110925 | SY038111 | 3-[(4-Chlorophenyl)methylene]-1(3H)-isobenzofu...
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  7. Mycophenolate sodium
      Grade & Purity: 
    • ≥98%
    Cas Number: 37415-62-6
    Formula:  C17H19NaO6        Molecular Weight: 342.32
    IUPAC Name:  sodium;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
    SMILES:  CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)[O-])O.[Na+]
    InChIKey: DOZYTHNHLLSNIK-JOKMOOFLSA-M
    InChI:  InChI=1S/C17H20O6.Na/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h4,20H,5-8H2,1-3H3,(H,18,19);/q;+1/p-1/b9-4+;
    Synonyms: MYCOPHENOLATE SODIUM (USP-RS) | Mycophenolate sodium [USAN] | 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol...
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  8. Tofogliflozin
    Cas Number: 903565-83-3        Compound CID:  46908929
    Formula:  C22H26O6        Molecular Weight: 386.444
    IUPAC Name:  (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
    SMILES:  CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2
    InChIKey: VWVKUNOPTJGDOB-BDHVOXNPSA-N
    InChI:  InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19show more
    Synonyms: DTXSID90238097 | R-7201 | GTPL9395 | RO4998452 | RO-4998452 | AC-31468 | C6H18N3OP | NCGC00485920-01 | CSG 452 | debe...
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  9. PHTHALIDENEACETIC ACID
    Cas Number: 4743-57-1        Compound CID:  736767
    Formula:  C10H6O4        Molecular Weight: 190.157
    IUPAC Name:  (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid
    SMILES:  C1=CC=C2C(=C1)C(=CC(=O)O)OC2=O
    InChIKey: XKMGDVJBAWUUDZ-YVMONPNESA-N
    InChI:  InChI=1S/C10H6O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)/b8-5-
    Synonyms: 4743-57-1|(2Z)-(3-oxo-2-benzofuran-1(3H)-ylidene)acetic acid|125213-45-8|2-(3-oxo-1,3-dihydroisobenzofuran-1-yliden)a...
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  10. Mycophenolic acid-d3
    Cas Number: 1185242-90-3
    Formula:  C17H17D3O6        Molecular Weight: 323.36
    IUPAC Name:  (E)-6-[4-hydroxy-7-methyl-3-oxo-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
    SMILES:  CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)O
    InChIKey: HPNSFSBZBAHARI-HZIIEIAOSA-N
    InChI:  InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+/i3D3
    Synonyms: (4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-d3-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid
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  11. 6-Iodo-1,3-dihydro-2-benzofuran-1-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 53910-10-4
    Formula:  C8H5IO2        Molecular Weight: 260.03
    IUPAC Name:  6-iodo-3H-2-benzofuran-1-one
    SMILES:  C1C2=C(C=C(C=C2)I)C(=O)O1
    InChIKey: GDWUNKJJSAKJSC-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5IO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
    Synonyms: 6-lodo-3H-isobenzofuran-1-one | 6-iodo-3H-2-benzofuran-1-one | 6-IODO-1(3H)-ISOBENZOFURANONE | 6-iodoisobenzofuran-1(...
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  12. 4-Nitrophthalide
      Grade & Purity: 
    • ≥97%
    Cas Number: 65399-18-0
    Formula:  C8H5NO4        Molecular Weight: 179.1
    IUPAC Name:  4-nitro-3H-2-benzofuran-1-one
    SMILES:  C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)O1
    InChIKey: NTPUVQUUAYGRHK-UHFFFAOYSA-N
    InChI:  InChI=1S/C8H5NO4/c10-8-5-2-1-3-7(9(11)12)6(5)4-13-8/h1-3H,4H2
    Synonyms: 4-NITROPHTHALIDE|65399-18-0|4-Nitroisobenzofuran-1(3H)-one|4-nitro-3H-2-benzofuran-1-one|4-nitro-3H-isobenzofuran-1-o...
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