3'-Hydroxy Repaglinide-d5 - ≥98% , CAS No.1352792-15-4

CAS: 1352792-15-4 Cat. No.: H651428 Molecular Weight: 473.62 PubChem CID: 71749291

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

3'-Hydroxy Repaglinide-d 5 is the deuterium labeled 3'-Hydroxy Repaglinide. 3'-Hydroxy Repaglinide is a main CYP2C8 metabolite of Repaglinide.

Form:Solid

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

3'-Hydroxy Repaglinide-d 5 is the deuterium labeled 3'-Hydroxy Repaglinide. 3'-Hydroxy Repaglinide is a main CYP2C8 metabolite of Repaglinide.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCC(C3)O)C(=O)O
• IUPAC Name: 4-[2-[[1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acid
• InChIKey: OBMAZJVHPAVADF-SGEUAGPISA-N
• INCHI: 1S/C27H36N2O5/c1-4-34-25-15-19(11-12-22(25)27(32)33)16-26(31)28-23(14-18(2)3)21-9-5-6-10-24(21)29-13-7-8-20(30)17-29/h5-6,9-12,15,18,20,23,30H,4,7-8,13-14,16-17H2,1-3H3,(H,28,31)(H,32,33)/i1D3,4D2
• PubChem CID: 71749291
• Molecular Weight: 473.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Phenylacetamides Benzoic acids Phenoxy compounds Phenol ethers Dialkylarylamines Aniline and substituted anilines Benzoyl derivatives Alkyl aryl ethers Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Phenylacetamide - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Amino acid - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (211.14 mM; Need ultrasonic)