sulisobenzone

Synonyms: "5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid", "2-hydroxy-4-methoxybenzophenone-5-sulfonic acid", "2-hydroxy-4-methoxy-5-sulfobenzophenone", "sungard", "benzophenone 4", "Uval", "Sulisobenzona", "Sulisobenzonum", "Uvinul", "Seesorb 101S", "Syntase 230", "Uvinul MS 40", "sulisobenzone", "benzophenone-4", "MS 40".

Source: Sulisobenzone is widely employed in sunscreens and other personal care products.

Identifiers:

IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
CAS Number: 4065-45-6
PubChem ID: 19988
InChiKey: CXVGEDCSTKKODG-UHFFFAOYSA-N
Canonical SMILES: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Structural Properties:

Molecular Formula: C14H12O6S
Molecular Weight: 308.304

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 6
Number of atoms different from hydrogen: 21

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Kunz PY, Fent K. 2006. Multiple hormonal activities of UV filters and comparison of in vivo and in vitro estrogenic activity of ethyl-4-aminobenzoate in fish. Aquat Toxicol 79(4):305-324. DOI: 10.1016/j.aquatox.2006.06.016. URL: https://www.sciencedirect.com/science/article/pii/S0166445X06002700Kunz PY, Galicia HF, Fent K. 2006. Comparison of in vitro and in vivo estrogenic activity of UV filters in fish. Toxicol Sci 90(2):349-361 DOI: 10.1093/toxsci/kfj082. URL: https://academic.oup.com/toxsci/article/90/2/349/1658390.

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