Glucuronic acid derivatives

Description:

Compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.

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  1. Trimetrexate Glucuronate
    CAS: 82952-64-5 Formula: C25H33N5O10 Molecular Weight: 563.6
    Out of Stock Item #: T1301958
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    IUPAC Name
    5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
    SMILES
    CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O
    InChIKey
    ZCJXQWYMBJYJNB-LRDBBFHQSA-N
    InChI
    1S/C19H23N5O3.C6H10O7/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-8,22H,9H2,1-4show more
  2. (2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
    CAS: 15769-56-9 Formula: C6H10O7 Molecular Weight: 194.140
    Out of Stock Item #: S1043298
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    IUPAC Name
    (2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
    SMILES
    C(=O)[C@@H]([C@@H]([C@H]([C@@H](C(=O)O)O)O)O)O
    InChIKey
    IAJILQKETJEXLJ-KLVWXMOXSA-N
    InChI
    1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3-,4+,5-/m0/s1
  3. 5-Bromo-4-chloro-3-indolyl β-D-glucuronide sodium salt
    CAS: 129541-41-9 PubChem CID: 23664774 Formula: C14H12BrClNNaO7 Molecular Weight: 444.59
    Solid tablet
    Out of Stock Item #: B755375
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    IUPAC Name
    sodium;(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
    SMILES
    C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br.[Na+]
    InChIKey
    IBLSVGDGSKUDCT-CYRSAHDMSA-M
    InChI
    1S/C14H13BrClNO7.Na/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;/h1-3,9-12,14,17-20H,(H,21,22);/q;+1/p-1/t9-,10-,11+,12-,14show more
  4. D-Glucuronic acid
    CAS: 70021-34-0 Formula: C6H10O7 Molecular Weight: 194.14
    Out of Stock Item #: D697740
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    IUPAC Name
    (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
    SMILES
    C1(C(C(OC(C1O)O)C(=O)O)O)O
    InChIKey
    AEMOLEFTQBMNLQ-WAXACMCWSA-N
    InChI
    1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1
  5. BETA-D-GLUCURONIC ACID
    CAS: 23018-83-9 Formula: C6H10O7 Molecular Weight: 194.14
    Out of Stock Item #: B690746
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    IUPAC Name
    (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
    SMILES
    C1(C(C(OC(C1O)O)C(=O)O)O)O
    InChIKey
    AEMOLEFTQBMNLQ-QIUUJYRFSA-N
    InChI
    1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
  6. (3aR,5S,5aR,8aS,8bR)-2,2,7,7-Tetramethyltetrahydro-5H-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxylic acid
    CAS: 25253-46-7 PubChem CID: 1789081 Formula: C12H18O7 Molecular Weight: 274.27
    Out of Stock Item #: T699652
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    IUPAC Name
    (1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylic acid
    SMILES
    CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)O)C
    InChIKey
    HDDAMQVWECBJLO-WASRKXDBSA-N
    InChI
    1S/C12H18O7/c1-11(2)16-5-6(17-11)8-10(15-7(5)9(13)14)19-12(3,4)18-8/h5-8,10H,1-4H3,(H,13,14)/t5-,6+,7+,8-,10-/m1/s1
  7. 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
    Formula: C25H33N5O10 Molecular Weight: 563.6
    Out of Stock Item #: M671269
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    IUPAC Name
    5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
    SMILES
    CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C1(C(C(OC(C1O)O)C(=O)O)O)O
    InChIKey
    DQOGWKZQQBYYMW-LQGIGNHCSA-N
    InChI
    1S/C19H23N5O3.C6H10O7/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;7-1-2(8)4(5(10)11)13-6(12)3(1)9/h5-8,22H,9H2,1show more
    Synonyms
    CHEMBL2218878
  8. (2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
    CAS: 144110-42-9 PubChem CID: 2733775 Formula: C14H13BrClNO7 Molecular Weight: 422.62
    Out of Stock Item #: T664027
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    Technical Identifiers
    IUPAC Name
    (2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
    SMILES
    C1=C2C(=CC(=C1Br)Cl)NC=C2OC3C(C(C(C(O3)C(=O)O)O)O)O
    InChIKey
    GAZVSOQUFLIBJQ-BYNIDDHOSA-N
    InChI
    1S/C14H13BrClNO7/c15-5-1-4-7(2-6(5)16)17-3-8(4)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14,17-20H,(H,21,22)/t9-,10-,11+,12-,14+/m0/s1
  9. Gemfibrozil 1-O-β-glucuronide
    CAS: 91683-38-4 Formula: C21H30O9 Molecular Weight: 426.46
    Out of Stock Item #: G647264
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    IUPAC Name
    (2S,3S,4S,5R,6S)-6-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    SMILES
    CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O
    InChIKey
    CJMNXSKEVNPQOK-LVEJAMMSSA-N
    InChI
    1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t1show more
    Synonyms
    AKOS027324600 | beta-D-Glucopyranuronic acid, 1-(5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate) | 1-[5-(2,5-Dimethyl...
  10. D-Mannuronic acid sodium
    CAS: 921-56-2 Formula: C6H9NaO7 Molecular Weight: 216.12
    Out of Stock Item #: D651892
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    IUPAC Name
    sodium;(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoate
    SMILES
    C(=O)C(C(C(C(C(=O)[O-])O)O)O)O.[Na+]
    InChIKey
    WNFHGZLVUQBPMA-MHFWOIHZSA-M
    InChI
    1S/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/q;+1/p-1/t2-,3-,4+,5+;/m1./s1
    Synonyms
    sodium;(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoate | sodium mannuronate | DTXSID20904076 | Sodium (2S,3S,4S,5S)...
  11. Calcium D-saccharate tetrahydrate
    CAS: 5793-89-5 Formula: C6H8CaO8·4H2O Molecular Weight: 320.3
    Out of Stock Item #: C473792
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    IUPAC Name
    calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrate
    SMILES
    C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.O.O.O.O.[Ca+2]
    InChIKey
    ZQWFSIZRQANUDA-WQMSYZFBSA-L
    InChI
    1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
    Synonyms
    D-GLUCARIC ACID, CALCIUM SALT (1:1 TETRAHYDRATE | Calcium D-glucarate (1:1), tetrahydrate | 5793-89-5 (calcium hydrat...
  12. D-Glucuronic acid sodium salt monohydrate
    CAS: 207300-70-7 PubChem CID: 24892836 Formula: C6H11NaO8 Molecular Weight: 234.14
    In Stock Item #: D471802
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    Technical Identifiers
    IUPAC Name
    sodium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate;hydrate
    SMILES
    C(=O)C(C(C(C(C(=O)[O-])O)O)O)O.O.[Na+]
    InChIKey
    ICQRTPLATMRWJI-JLWXJWIASA-M
    InChI
    1S/C6H10O7.Na.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h1-5,8-11H,(H,12,13);;1H2/q;+1;/p-1/t2-,3+,4-,5-;;/m0../s1
    Synonyms
    UNII-GLV8D2BUPD | AS-80666 | D-GLUCURONIC ACID SODIUM SALT | SODIUM (2S,3S,4S,5R)-2,3,4,5-TETRAHYDROXY-6-OXOHEXANOATE...
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