ICI-164384

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H55NO3
Molecular Weight	525.8054
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(O)C=C4C[C@@H](CCCCCCCCCCC(=O)N(C)CCCC)[C@@]23[H]

InChI

InChIKey=BVVFOLSZMQVDKV-KXQIQQEYSA-N

InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H55NO3
Molecular Weight	525.8054
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
2,3,7,8-Tetrachlorodibenzo-p-dioxin-induced thymic atrophy and lymphocyte stem cell alterations by mechanisms independent of the estrogen receptor.	1994 Jun 1	8010988
Effect of cadmium on estrogen receptor levels and estrogen-induced responses in human breast cancer cells.	1994 Jun 17	8207012
Influence of xenobiotics on rainbow trout liver estrogen receptor and vitellogenin gene expression.	1995 Oct	8800639
Differential estrogen receptor binding of estrogenic substances: a species comparison.	2000 Nov 15	11162928
Pure antiestrogens and breast cancer.	2001	11922402
The unusual binding properties of the third distinct teleost estrogen receptor subtype ERbetaa are accompanied by highly conserved amino acid changes in the ligand binding domain.	2004 Jun	15001543
Methyl mercury influences growth-related signaling in MCF-7 breast cancer cells.	2005 Feb	15712295
Serum free BG-1 cell proliferation assay: a sensitive method for determining organochlorine pesticide estrogen receptor activation at the nanomolar range.	2006 Apr	16242299
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
Downregulation of SIAH2, an ubiquitin E3 ligase, is associated with resistance to endocrine therapy in breast cancer.	2009 Jul	18629630
Comparison of relative binding affinities to fish and mammalian estrogen receptors: the regulatory implications.	2010 Feb 15	19913605
Olfactomedin-4 regulation by estrogen in the human endometrium requires epidermal growth factor signaling.	2010 Nov	21048224

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:19:46 GMT 2023` Edited by `admin` on `Fri Dec 15 19:19:46 GMT 2023`
Record UNII	84LT43726C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ICI-164384

Common Name

English

N-BUTYL-11-((17.BETA.)-3,17-DIHYDROXYESTRA-1,3,5(10)-TRIEN-7-YL)-N-METHYLUNDECANAMIDE

Systematic Name

English

ICI 164384

Common Name

English

UNDECANAMIDE, N-BUTYL-11-((17.BETA.)-3,17-DIHYDROXYESTRA-1,3,5(10)-TRIEN-7-YL)-N-METHYL-

Systematic Name

English

ICI 164,384

Code

English

Code System Code Type Description

FDA UNII

84LT43726C