MOXESTROL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26O3
Molecular Weight	326.4293
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)C[C@H](OC)[C@]3([H])C4=C(CC[C@@]23[H])C=C(O)C=C4

InChI

InChIKey=MTMZZIPTQITGCY-OLGWUGKESA-N

InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H26O3
Molecular Weight	326.4293
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/6855232 | https://www.ncbi.nlm.nih.gov/pubmed/25824732 | https://www.ncbi.nlm.nih.gov/pubmed/338643

Moxestrol (11β-methoxy-17-ethynyl-estradiol) is estrogen receptor agonist. It is used in the studies of estrogen receptor activity and distribution. Moxestrol is rapidly metabolized by the liver. Hydroxylation was the main transformation pathway. Moxestrol yielded metabolites hydroxylated (or methoxylated) at C-2, C-15 and C-16, but not at C-6, and also gave rise to D-homo derivatives. It was considered as a potentially effective drug in the treatment of postmenopausal disturbances.

CNS Activity

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Estrogen receptor 75 Target ID: CHEMBL2093866 Sources: https://www.ncbi.nlm.nih.gov/pubmed/6855232 \| https://www.ncbi.nlm.nih.gov/pubmed/25824732	Agonist 2678

Conditions

Condition	Modality	Targets	Highest Phase	Product
Postmenopausal disorder 1 Sources: https://www.ncbi.nlm.nih.gov/pubmed/338643

PubMed

Title	Date	PubMed
Determination of the estrogenic and antiestrogenic effects of environmental contaminants in chicken embryo hepatocyte cultures by quantitative-polymerase chain reaction.	2003 Oct	14551996
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:12:37 UTC 2023` Edited by `admin` on `Fri Dec 15 16:12:37 UTC 2023`
Record UNII	6923NT44OW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MOXESTROL

Official Name

English

11.BETA.-METHOXY-19-NOR-17.ALPHA.-PREGNA-1,3,5-(10)-TRIEN-20-YNE-3,17-DIOL

Common Name

English

moxestrol [INN]

Common Name

English

R 2858

Code

English

MOXESTROL [MART.]

Common Name

English

Moxestrol [WHO-DD]

Common Name

English

R-2858

Code

English

MOXESTROL [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C483