Norgestrienone

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Norgestrienone
Accession Number
DB13563
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
89386PYU9O
CAS number
848-21-5
Weight
Average: 294.394
Monoisotopic: 294.161979948
Chemical Formula
C20H22O2
InChI Key
GVDMJXQHPUYPHP-FYQPLNBISA-N
InChI
InChI=1S/C20H22O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,8,10,12,17-18,22H,4-7,9,11H2,2H3/t17-,18+,19+,20+/m1/s1
IUPAC Name
(1R,3aS,3bS,11aS)-1-ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,11aH-cyclopenta[a]phenanthren-7-one
SMILES
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AbciximabNorgestrienone may decrease the anticoagulant activities of Abciximab.
AcenocoumarolNorgestrienone may decrease the anticoagulant activities of Acenocoumarol.
Acetylsalicylic acidNorgestrienone may decrease the anticoagulant activities of Acetylsalicylic acid.
AdapaleneThe therapeutic efficacy of Norgestrienone can be decreased when used in combination with Adapalene.
AlclometasoneThe serum concentration of Alclometasone can be increased when it is combined with Norgestrienone.
AlfuzosinThe metabolism of Norgestrienone can be decreased when combined with Alfuzosin.
AlitretinoinThe therapeutic efficacy of Norgestrienone can be decreased when used in combination with Alitretinoin.
AlteplaseNorgestrienone may decrease the anticoagulant activities of Alteplase.
AmcinonideThe serum concentration of Amcinonide can be increased when it is combined with Norgestrienone.
AmiodaroneThe metabolism of Norgestrienone can be decreased when combined with Amiodarone.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
12749
ChEBI
135231
ChEMBL
CHEMBL1908319
Wikipedia
Norgestrienone
ATC Codes
G03AC07 — Norgestrienone

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0113 mg/mLALOGPS
logP2.97ALOGPS
logP2.41ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)17.57ChemAxon
pKa (Strongest Basic)-1.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity89.12 m3·mol-1ChemAxon
Polarizability33.61 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Estrane steroids
Direct Parent
Estrogens and derivatives
Alternative Parents
3-oxosteroids / 17-hydroxysteroids / Cyclohexenones / Ynones / Tertiary alcohols / Cyclic alcohols and derivatives / Acetylides / Organic oxides / Hydrocarbon derivatives
Substituents
Estrogen-skeleton / 3-oxosteroid / Hydroxysteroid / Oxosteroid / 17-hydroxysteroid / Cyclohexenone / Ynone / Cyclic alcohol / Tertiary alcohol / Ketone
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein
Organism
Human
Pharmacological action
No
Actions
Substrate
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da

Drug created on June 23, 2017 14:44 / Updated on September 07, 2018 03:27