Repaglinide-ethyl-d5 - ≥98 atom% D,≥98% , CAS No.1217709-85-7

CAS: 1217709-85-7 Cat. No.: R334331 Summenformel: C₂₇H₃₁D₅N₂O₄ Molekulargewicht: 457.62 PubChem CID: 45040351

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

AKOS040744360 | (S)-(+)-REPAGLINIDE-D5 | J-004647 | HY-15209S | 2-[(~2~H_5_)Ethyloxy]-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid | Repaglinide D5 | Repaglinide-ethyl-d5 | Repaglinide-d5 | MS-28361 | 1217709-85-7

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Deuterated Repaglinide, a non-sulfonylurea oral hypoglycemic agent which is used as an antidiabetic.

Specifications

Synonyme

AKOS040744360 | (S)-(+)-REPAGLINIDE-D5 | J-004647 | HY-15209S | 2-[(~2~H_5_)Ethyloxy]-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid | Repaglinide D5 | Repaglinide-ethyl-d5 | Repaglinide-d5 | MS-28361 | 1217709-85-7

Spezifikationen & Reinheit

≥98 atom% D,≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥98%

Namen und Kennungen

• Pubchem Sid: 528773327
• Kanonisches Lächeln: CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O
• IUPAC Name: 4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acid
• InChIKey: FAEKWTJYAYMJKF-NTSVIFQKSA-N
• INCHI: 1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1/i1D3,4D2
• Isomere SMILES: [2H]C([2H])([2H])C([2H])([2H])OC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O
• PubChem CID: 45040351
• Molekulargewicht: 457.62

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Phenylacetamides Benzoic acids Phenoxy compounds Phenol ethers Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Alkyl aryl ethers Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Phenylacetamide - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Amino acid - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonyl group - Amine - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Dichloromethane, Ethyl Acetate and Methanol
• Schmelzpunkt (°C): 81-111°C (lit.)
• Molekulargewicht: 457.600 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 457.299 Da
• Monoisotopic Mass: 457.299 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 619.000
• Isotope Atom Count: 5
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1