Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C11H13O3.Na |
| Molecular Weight | 216.2089 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC(C)COC(=O)C1=CC=C([O-])C=C1
InChI
InChIKey=HLDPLHCMNIULPL-UHFFFAOYSA-M
InChI=1S/C11H14O3.Na/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9;/h3-6,8,12H,7H2,1-2H3;/q;+1/p-1
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C11H13O3 |
| Molecular Weight | 193.2191 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Inactive ingredient | surmontil Approved UseSurmontil is indicated for the relief of symptoms of depression. Endogenous depression is more likely to be alleviated than other depressive states. In studies with neurotic outpatients, the drug appeared to be equivalent to amitriptyline in the less-depressed patients but somewhat less effective than amitriptyline in the more severely depressed patients. In hospitalized depressed patients, trimipramine and imipramine were equally effective in relieving depression. Launch Date1979 |
PubMed
| Title | Date | PubMed |
|---|---|---|
| [Competitive binding of some alkyl p-hydroxybenzoates to human estrogen receptor alpha and beta]. | 2000 Dec |
|
| Oestrogenic activity of isobutylparaben in vitro and in vivo. | 2002 Jul-Aug |
|
| Oestrogenic activity of benzylparaben. | 2003 Jan-Feb |
|
| A review of the endocrine activity of parabens and implications for potential risks to human health. | 2005 Jun |
|
| Parabens as urinary biomarkers of exposure in humans. | 2006 Dec |
|
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006 Nov |
|
| Preliminary ecological risk assessment of butylparaben and benzylparaben -2. Fate and partitioning in aquatic environments. | 2007 |
|
| Preliminary ecological risk assessment of butylparaben and benzylparaben -1. Removal efficiency in wastewater treatment, acute/chronic toxicity for aquatic organisms, and effects on medaka gene expression. | 2007 |
|
| [Simultaneous determination of 7 kinds of preservatives and saccharin in foods with HPLC, and identification with LC/MS/MS]. | 2007 Dec |
|
| Final amended report on the safety assessment of Methylparaben, Ethylparaben, Propylparaben, Isopropylparaben, Butylparaben, Isobutylparaben, and Benzylparaben as used in cosmetic products. | 2008 |
|
| Simultaneous determination of 21 preservatives in cosmetics by ultra performance liquid chromatography. | 2008 Oct |
|
| Construction of simplified models to simulate estrogenic disruptions by esters of 4-hydroxy benzoic acid (parabens). | 2008 Sep |
|
| Underarm antiperspirants/deodorants and breast cancer. | 2009 |
|
| Maternal isobutyl-paraben exposure decreases the plasma corticosterone level in dams and sensitivity to estrogen in female offspring rats. | 2009 Aug |
|
| Evaluation of estrogenic activity of parabens and their chlorinated derivatives by using the yeast two-hybrid assay and the enzyme-linked immunosorbent assay. | 2009 Jan |
|
| [Determination of six p-hydroxybenzoates in fruits and jams using solid-phase extraction-high performance liquid chromatography]. | 2009 Nov |
|
| Maternal isobutyl-paraben exposure alters anxiety and passive avoidance test performance in adult male rats. | 2009 Oct |
|
| Maternal exposure to isobutyl-paraben impairs social recognition in adult female rats. | 2010 |
|
| In vitro study of Organization for Economic Co-operation and Development (OECD) endocrine disruptor screening and testing methods- establishment of a recombinant rat androgen receptor (rrAR) binding assay. | 2010 Apr |
|
| Mixture effects of endocrine disrupting compounds in vitro. | 2010 Apr |
|
| Validation of an in vitro screening test for predicting the tumor promoting potential of chemicals based on gene expression. | 2010 Apr |
|
| Potential estrogenic effect(s) of parabens at the prepubertal stage of a postnatal female rat model. | 2010 Jun |
|
| Urinary concentrations of four parabens in the U.S. population: NHANES 2005-2006. | 2010 May |
|
| Additional effects of bisphenol A and paraben on the induction of calbindin-D(9K) and progesterone receptor via an estrogen receptor pathway in rat pituitary GH3 cells. | 2012 Oct |
|
| Comparative study on transcriptional activity of 17 parabens mediated by estrogen receptor α and β and androgen receptor. | 2013 Jul |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:24:25 GMT 2023
by
admin
on
Sat Dec 16 08:24:25 GMT 2023
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| Record UNII |
9687QN0ZSY
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| Record Status |
Validated (UNII)
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| Record Version |
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84930-15-4
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9687QN0ZSY
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DTXSID20233974
Created by
admin on Sat Dec 16 08:24:25 GMT 2023 , Edited by admin on Sat Dec 16 08:24:25 GMT 2023
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