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
SMILES
CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]3CCC4=C(C=CC(O)=C4)[C@@H]13
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
| 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 |
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
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16452668/
Curator's Comment: Moxestrol is CNS active in animals. No human data available.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006-11 |
|
| Determination of the estrogenic and antiestrogenic effects of environmental contaminants in chicken embryo hepatocyte cultures by quantitative-polymerase chain reaction. | 2003-10 |
Patents
| Substance Class |
Chemical
Created
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| Record UNII |
6923NT44OW
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Validated (UNII)
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NCI_THESAURUS |
C483
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WHO-VATC |
QG03CB04
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WHO-ATC |
G03CB04
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DTXSID8022375
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34816-55-2
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C87229
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2913
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C011310
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3366
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6923NT44OW
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SUB14601MIG
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CHEMBL1628161
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DB13418
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100000076241
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Moxestrol
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m7645
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11954041
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |