Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B45ZJO
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| Binder Name |
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid
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| Synonyms |
Ibuprofen acyl glucuronide; CHEMBL3526740; Ibuprofen Acyl-beta-D-glucuronide; Ibuprofen glucuronide; DTXSID30921613; Ibuprofen Acyl-beta-D- Glucuronide; BDBM50088514; IBUPROFEN ACYL-B-D-GLUCURONIDE; Ibuprofen acyl-beta-D-glucuronide, analytical standard; Q27160661; 2-(4-Isobutylphenyl)propanoic acid beta-D-glucopyranuronosyl ester; 1-( -Methyl-4-(2-methylpropyl)benzeneacetate)- -D-Glucopyranuronic acid; 1-(alpha-methyl-4-(2-methylpropyl)benzeneacetate) b-D-Glucopyranuronic acid; 1-(alpha-methyl-4-(2-methylpropyl)benzeneacetate) b-delta-Glucopyranuronic acid; 1-(alpha-methyl-4-(2-methylpropyl)benzeneacetate) beta-D-Glucopyranuronic acid; beta-D-Glucopyranuronic acid, 1-(alpha-methyl-4-(2-methylpropyl)benzeneacetate)
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C19H26O8
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| Canonical SMILES |
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
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| InChI |
1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10?,13-,14-,15+,16-,19-/m0/s1
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| InChIKey |
ABOLXXZAJIAUGR-JPMMFUSZSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:88735
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