Furazabol

Identification

Name
Furazabol
Accession Number
DB01514
Type
Small Molecule
Groups
Illicit
Description
Not Available
Structure
Thumb
Synonyms
Not Available
International/Other Brands
Miotolon (Daiichi)
Categories
UNII
2W07HSP5PX
CAS number
1239-29-8
Weight
Average: 330.4644
Monoisotopic: 330.230728214
Chemical Formula
C20H30N2O2
InChI Key
RGLLOUBXMOGLDQ-IVEVATEUSA-N
InChI
InChI=1S/C20H30N2O2/c1-18-11-17-16(21-24-22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h12-15,23H,4-11H2,1-3H3/t12-,13+,14-,15-,18-,19-,20-/m0/s1
IUPAC Name
(1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6-oxa-5,7-diazapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁸]icosa-4,7-dien-17-ol
SMILES

Pharmacology

Indication
Not Available
Structured Indications
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
Not Available
Food Interactions
Not Available

References

Synthesis Reference

Ohta, G., Takegoshi,T., Onodera, T., Kasahara, A., Oshima, Y., Shimizu, M. and Ueno, K.; U.S. Patent 3,245,988; April 12,1966; assigned to Daiichi Seiyaku KK, Japan.

General References
Not Available
External Links
PubChem Compound
14708
PubChem Substance
46505276
ChemSpider
14032
ChEBI
31640
ChEMBL
CHEMBL1893554
Wikipedia
Furazabol

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
Solid
Experimental Properties
PropertyValueSource
melting point (°C)152Ohta, G., Takegoshi,T., Onodera, T., Kasahara, A., Oshima, Y., Shimizu, M. and Ueno, K.; U.S. Patent 3,245,988; April 12,1966; assigned to Daiichi Seiyaku KK, Japan.
Predicted Properties
PropertyValueSource
Water Solubility0.0277 mg/mLALOGPS
logP4.3ALOGPS
logP2.97ChemAxon
logS-4.1ALOGPS
pKa (Strongest Basic)-0.51ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area59.15 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity93.06 m3·mol-1ChemAxon
Polarizability37.94 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+1.0
Blood Brain Barrier+0.9564
Caco-2 permeable+0.5836
P-glycoprotein substrateSubstrate0.7034
P-glycoprotein inhibitor INon-inhibitor0.5547
P-glycoprotein inhibitor IINon-inhibitor0.9066
Renal organic cation transporterNon-inhibitor0.7822
CYP450 2C9 substrateNon-substrate0.7399
CYP450 2D6 substrateNon-substrate0.7865
CYP450 3A4 substrateSubstrate0.6629
CYP450 1A2 substrateNon-inhibitor0.5561
CYP450 2C9 inhibitorNon-inhibitor0.7852
CYP450 2D6 inhibitorNon-inhibitor0.89
CYP450 2C19 inhibitorNon-inhibitor0.6522
CYP450 3A4 inhibitorNon-inhibitor0.6092
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.7734
Ames testNon AMES toxic0.6452
CarcinogenicityNon-carcinogens0.8767
BiodegradationNot ready biodegradable0.9941
Rat acute toxicity1.9483 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.8085
hERG inhibition (predictor II)Non-inhibitor0.7679
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

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 estrane steroids. These are steroids with a structure based on the estrane skeleton.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Estrane steroids
Direct Parent
Estrane steroids
Alternative Parents
17-hydroxysteroids / Tertiary alcohols / Heteroaromatic compounds / Furazans / Cyclic alcohols and derivatives / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Estrane-skeleton / Hydroxysteroid / 17-hydroxysteroid / Azole / Cyclic alcohol / Furazan / Oxadiazole / Tertiary alcohol / Heteroaromatic compound / Organoheterocyclic compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on July 31, 2007 07:10 / Updated on December 01, 2017 14:44