NAV

Quingestanol acetate

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

Identification

Generic Name
Quingestanol acetate
DrugBank Accession Number
DB14679
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 408.582
Monoisotopic: 408.266445019
Chemical Formula
C27H36O3
Synonyms
  • Norethindrone acetate 3-cyclopentyl enol ether
  • Quingestanol acetate
External IDs
  • W 4540
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
Integrate drug-drug
interactions in your software
AbciximabQuingestanol acetate may decrease the anticoagulant activities of Abciximab.
AcenocoumarolQuingestanol acetate may decrease the anticoagulant activities of Acenocoumarol.
AlteplaseQuingestanol acetate may decrease the anticoagulant activities of Alteplase.
AncrodQuingestanol acetate may decrease the anticoagulant activities of Ancrod.
AnistreplaseQuingestanol acetate may decrease the anticoagulant activities of Anistreplase.
Food Interactions
Not Available

Products

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Active Moieties
NameKindUNIICASInChI Key
NorethisteroneprodrugT18F433X4S68-22-4VIKNJXKGJWUCNN-XGXHKTLJSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
M33GGZ63KG
CAS number
3000-39-3
InChI Key
FLGJKPPXEKYCBY-AKCFYGDASA-N
InChI
InChI=1S/C27H36O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,9,17,20,22-25H,5-8,10-16H2,2-3H3/t22-,23+,24+,25-,26-,27-/m0/s1
IUPAC Name
(1R,3aS,3bR,9aR,9bS,11aS)-7-(cyclopentyloxy)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
SMILES
[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(OC4CCCC4)=CC3=CC[C@@]21[H]

References

General References
Not Available
ChemSpider
17136
ChEBI
135661
ChEMBL
CHEMBL2105291
Wikipedia
Quingestanol_acetate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00175 mg/mLALOGPS
logP5.67ALOGPS
logP4.76Chemaxon
logS-5.4ALOGPS
pKa (Strongest Basic)-4.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area35.53 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity120.29 m3·mol-1Chemaxon
Polarizability49.19 Å3Chemaxon
Number of Rings5Chemaxon
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/MSsplash10-0002-1029100000-10d36a9dc2a1a3f06274
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-2000900000-7e63acd09c4d6f75f900
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05nb-3094000000-ed0ab7cd7b5e90dfc6bc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0005-8089100000-c38a877adab5e25c82a3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-9027600000-b93ca09c31adf32ea560
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-1594200000-4d1dd61f376202bc817c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 05, 2018 17:06 / Updated at February 21, 2021 18:54