NAV

Selenium (75Se) norcholesterol

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

Identification

Summary

Selenium (75Se) norcholesterol is a radiopharmaceutical indicated in nuclear imaging studies of the digestive system.

Generic Name
Selenium (75Se) norcholesterol
DrugBank Accession Number
DB13622
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 475.614
Monoisotopic: 475.293039737
Chemical Formula
C28H48OSe
Synonyms
  • Selenium se-75 norcholesterol
External IDs
  • J40.704F
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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.
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EltrombopagThe bioavailability of Selenium (75Se) norcholesterol can be decreased when combined with Eltrombopag.
Food Interactions
Not Available

Products

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Categories

ATC Codes
V09XX03 — Selenium (75se) norcholesterol
Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
XWR21TJ99H
CAS number
63795-61-9
InChI Key
AEVGUKVBCBHBNF-MJMUOCKJSA-N
InChI
InChI=1S/C28H48OSe/c1-18(2)7-6-8-19(3)26-11-12-27-25-15-20(17-30-5)24-16-21(29)9-10-22(24)23(25)13-14-28(26,27)4/h18-21,23,25-27,29H,6-17H2,1-5H3/t19-,20+,21+,23-,25-,26-,27+,28-/m1/s1/i30-4
IUPAC Name
(1S,5S,8R,10S,11S,14R,15R)-15-methyl-8-{[methyl(⁷⁵Se)selanyl]methyl}-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-2(7)-en-5-ol
SMILES
C[75Se]C[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2C2=C1C[C@@H](O)CC2

References

General References
  1. AIFA: Sehcat (Selenium 75Se Norcholesterol) Oral Capsule [Link]
ChemSpider
108863

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CapsuleOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000337 mg/mLALOGPS
logP6.4ALOGPS
logP6.31Chemaxon
logS-6.2ALOGPS
pKa (Strongest Acidic)18.19Chemaxon
pKa (Strongest Basic)-1.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area20.23 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity138.28 m3·mol-1Chemaxon
Polarizability54.58 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-001i-0001900000-366fc2993124580f19ca
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0000900000-75d49d14b25ec16388f8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1000900000-e7a3df88fbde5b293844
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05gs-8133900000-f2667aa157a8557a6625
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0005900000-f4b91daa58c79351253f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9215400000-3adcf8435c2ad88482c1
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-213.64436
predicted
DeepCCS 1.0 (2019)
[M+H]+215.89665
predicted
DeepCCS 1.0 (2019)
[M+Na]+221.72762
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:45 / Updated at May 29, 2021 18:12