α-Cholestane-d4 , CAS No.205529-74-4

CAS: 205529-74-4 Cat. No.: C648528 Formule: C₂₇H₄₄D₄ Poids moléculaire: 376.69

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

α-Cholestane-d 4 is the deuterium labeled α-Cholestane.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Specifications

Mécanismes biochimiques et physiologiques

α-Cholestane-d 4 is the deuterium labeled α-Cholestane.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Sourires canoniques: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
• IUPAC Name: (5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
• InChIKey: XIIAYQZJNBULGD-ZMFVDLGJSA-N
• INCHI: 1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1/i7D2,11D2
• Isomères SMILES: [2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C(C1)([2H])[2H])CC[C@@H]4[C@H](C)CCCC(C)C)C)C)[2H]
• Poids moléculaire: 376.69
• Reaxy-Rn: 1912740
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912740&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Cholestane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Cholestane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholestane steroids
• Alternative Parents: Polycyclic hydrocarbons Saturated hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cholestane-skeleton - Polycyclic hydrocarbon - Saturated hydrocarbon - Hydrocarbon - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 205529-74-4, the molecular formula is C27H44D4, and the molecular weight is 376.69 g/mol. InChIKey XIIAYQZJNBULGD-ZMFVDLGJSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.