ISOBUTYLPARABEN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O3
Molecular Weight	194.2271
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)COC(=O)C1=CC=C(O)C=C1

InChI

InChIKey=XPJVKCRENWUEJH-UHFFFAOYSA-N

InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H14O3
Molecular Weight	194.2271
Charge	0
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
Depression 235 Sources: https://www.drugs.com/imprints/op-719-17293.html	Inactive ingredient		Approved 8429	surmontil Approved Use Surmontil 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 Date 1979

PubMed

Title	Date	PubMed
ER-dependent estrogenic activity of parabens assessed by proliferation of human breast cancer MCF-7 cells and expression of ERalpha and PR.	2001 Dec	11696396
A review of the endocrine activity of parabens and implications for potential risks to human health.	2005 Jun	16097138
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
[Simultaneous determination of 7 kinds of preservatives and saccharin in foods with HPLC, and identification with LC/MS/MS].	2007 Dec	18203501
Underarm antiperspirants/deodorants and breast cancer.	2009	20030880
Maternal isobutyl-paraben exposure decreases the plasma corticosterone level in dams and sensitivity to estrogen in female offspring rats.	2009 Aug	19721353
Parabens in male infertility-is there a mitochondrial connection?	2009 Jan	19007877
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	18717622
Removal of estrogenic activity of iso-butylparaben and n-butylparaben by laccase in the presence of 1-hydroxybenzotriazole.	2009 Jul	19109757
[Determination of six p-hydroxybenzoates in fruits and jams using solid-phase extraction-high performance liquid chromatography].	2009 Nov	20352935
Maternal isobutyl-paraben exposure alters anxiety and passive avoidance test performance in adult male rats.	2009 Oct	19560493
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	20371976
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	23211298
Comparative study on transcriptional activity of 17 parabens mediated by estrogen receptor α and β and androgen receptor.	2013 Jul	23567241

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:13:12 GMT 2023` Edited by `admin` on `Fri Dec 15 15:13:12 GMT 2023`
Record UNII	0QQJ25X58G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOBUTYLPARABEN

Official Name

English

ISOBUTYL 4-HYDROXYBENZOATE

Systematic Name

English

ISOBUTYLPARABEN [INCI]

Common Name

English

ISOBUTYL PARABEN

Common Name

English

ISOBUTYL P-HYDROXYBENZOATE

Common Name

English

ISOBUTYL PARAHYDROXYBENZOATE

Systematic Name

English

BENZOIC ACID, P-HYDROXY-, ISOBUTYL ESTER

Common Name

English

BENZOIC ACID, 4-HYDROXY-, 2-METHYLPROPYL ESTER

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C92608