NAV

Furazabol

Identification

Generic Name
Furazabol
DrugBank Accession Number
DB01514
Background

Not Available

Type
Small Molecule
Groups
Illicit
Structure
3D
Similar Structures
Weight
Average: 330.4644
Monoisotopic: 330.230728214
Chemical Formula
C20H30N2O2
Synonyms
  • Furazabol
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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.
Not Available
Food Interactions
Not Available

Products

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International/Other Brands
Miotolon (Daiichi)

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
17-hydroxysteroid / Alcohol / Aromatic heteropolycyclic compound / Azacycle / Azole / Cyclic alcohol / Estrane-skeleton / Furazan / Heteroaromatic compound / Hydrocarbon derivative
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2W07HSP5PX
CAS number
1239-29-8
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[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4,7-dien-17-ol
SMILES
[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NON=C3C[C@]12C

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
PubChem Compound
14708
PubChem Substance
46505276
ChemSpider
14032
ChEBI
31640
ChEMBL
CHEMBL1893554
ZINC
ZINC000004216375
Wikipedia
Furazabol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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/MSsplash10-03di-0019000000-29431bb322ef2a0dcee2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q9-3978000000-0604e6473c170db0fee1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-d6dbae6a3b3ab70a62f1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-f53e1e358f3d54404b6e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-5921000000-5f44a66498e6a3afdb04
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-08i1-2079000000-91a53661264ae63791aa
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-185.521558
predicted
DarkChem Lite v0.1.0
[M-H]-180.85188
predicted
DeepCCS 1.0 (2019)
[M+H]+185.682158
predicted
DarkChem Lite v0.1.0
[M+H]+182.74728
predicted
DeepCCS 1.0 (2019)
[M+Na]+188.52524
predicted
DeepCCS 1.0 (2019)

Drug created at July 31, 2007 13:10 / Updated at February 21, 2021 18:51