This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Iodine (131I) norcholesterol is a radioiodine-labeled cholesterol analogue that accumulates in areas where steroid hormones are produced and is used in certain diagnostic procedures.
- Generic Name
- Iodine (131I) norcholesterol
- DrugBank Accession Number
- DB13487
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Iodine (131I) norcholesterol (DB13487)
- Weight
- Average: 516.562
Monoisotopic: 516.253165237 - Chemical Formula
- C27H45IO
- Synonyms
- Norcholestenol iodomethyl i-131
- External IDs
- NP-59
- NP-59 I-131
Pharmacology
- Indication
Not Available
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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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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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Categories
- ATC Codes
- V09XA01 — Iodine (131i) norcholesterol
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Cholestane steroids
- Direct Parent
- Cholesterols and derivatives
- Alternative Parents
- 3-beta-hydroxysteroids / Secondary alcohols / Organoiodides / Hydrocarbon derivatives / Alkyl iodides
- Substituents
- 3-beta-hydroxysteroid / 3-hydroxysteroid / Alcohol / Aliphatic homopolycyclic compound / Alkyl halide / Alkyl iodide / Cholesterol-skeleton / Hydrocarbon derivative / Hydroxysteroid / Organic oxygen compound
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- cholestanoid (CHEBI:34893)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- HFE9M7UF0L
- CAS number
- 56897-09-7
- InChI Key
- QJHZPCLORSPENH-DRTKWHMQSA-N
- InChI
- InChI=1S/C27H45IO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18-,19+,20+,22-,24-,25-,26+,27-/m1/s1/i28+4
- IUPAC Name
- (1S,5S,8R,10S,11S,14R,15R)-8-[(¹³¹I)iodomethyl]-15-methyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-2(7)-en-5-ol
- SMILES
- CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C[131I])C4=C(CC[C@H](O)C4)[C@H]3CC[C@]12C
References
- General References
- National Cancer Institute - Iodine 131-6-beta-iodomethyl-19-norcholesterol [Link]
- External Links
- KEGG Compound
- C13547
- ChemSpider
- 571011
- ChEBI
- 34893
- ChEMBL
- CHEMBL2106905
- ZINC
- ZINC000118913163
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection, solution Intravenous - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000117 mg/mL ALOGPS logP 6.89 ALOGPS logP 7.67 Chemaxon logS -6.6 ALOGPS pKa (Strongest Acidic) 18.19 Chemaxon pKa (Strongest Basic) -1.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 20.23 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 133.56 m3·mol-1 Chemaxon Polarizability 55.61 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 202.03879 predictedDeepCCS 1.0 (2019) [M+H]+ 203.86368 predictedDeepCCS 1.0 (2019) [M+Na]+ 209.4908 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:42 / Updated at May 07, 2021 21:08