Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02RQP
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| Former ID |
DIB018981
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| Drug Name |
bisphenol A
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| Synonyms |
BPA
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C15H16O2
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| Canonical SMILES |
CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
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| InChI |
1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
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| InChIKey |
IISBACLAFKSPIT-UHFFFAOYSA-N
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| CAS Number |
CAS 80-05-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
68531, 81140, 586242, 893061, 3135927, 4950518, 7978799, 8154266, 10536202, 11533254, 14709383, 15220620, 16962392, 17389142, 17390010, 22389361, 24848090, 24848951, 24850948, 24850949, 24850952, 24854386, 24867221, 24867222, 25622888, 26736246, 26752849, 29225577, 32017005, 47365493, 48413311, 48416888, 48421347, 48421869, 48422978, 48424894, 48424895, 48425781, 48426108, 49718108, 49855899, 50105488, 50436459, 53786774, 56310669, 56311407, 56311428, 56311468, 56312131, 56312424
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| ChEBI ID |
CHEBI:33216
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Antiandrogenic effects of bisphenol A and nonylphenol on the function of androgen receptor. Toxicol Sci. 2003 Sep;75(1):40-6. | |||
| REF 2 | Structure-activity relationships of bisphenol A analogs at estrogen receptors (ERs): discovery of an ERalpha-selective antagonist. Bioorg Med Chem Lett. 2013 Jul 15;23(14):4031-6. | |||
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