bronopol

Synonyms: "2-bromo-2-nitro-1,3-propanediol", "2-bromo-2-nitropropane-1,3-diol", "bronosol", "bronocot", "bronidiol", "bronotak", "bronopolu", "onyxide 500", "lexgard bronopol", "bronopolum", "2-nitro-2-bromo-1,3-propanediol", "BNPD".

Source: Bronopol is used as a bactericide.

Identifiers:

IUPAC Name: 2-bromo-2-nitropropane-1,3-diol
CAS Number: 52-51-7
PubChem ID: 2450
InChiKey: LVDKZNITIUWNER-UHFFFAOYSA-N
Canonical SMILES: C(C(CO)([N+](=O)[O-])Br)O

Structural Properties:

Molecular Formula: C₃H₆BrNO₄
Molecular Weight: 199.988

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 9

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3D structure (.sdf)
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3D structure (.pdb)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kassotis CD, Klemp KC, Vu DC, Lin CH, Meng CX, Besch-Williford CL, Pinatti L, Zoeller RT, Drobnis EZ, Balise VD, et al. 2015 in press. Endocrine-disrupting activity of hydraulic fracturing chemicals and adverse health outcomes after prenatal exposure in male mice. Endocrinology:en20151375. DOI: 10.1210/en.2015-1375. URL: https://academic.oup.com/endo/article/156/12/4458/2422671.
Kassotis CD, Tillitt DE, Davis JW, Hormann AM, Nagel SC. 2014. Estrogen and androgen receptor activities of hydraulic fracturing chemicals and surface and ground water in a drilling-dense region. Endocrinology 155(3):897-907. DOI: 10.1210/en.2013-1697. URL: https://academic.oup.com/endo/article/155/3/897/2843268.