Losartan-d4 - ≥98 atom% D,≥98% , CAS No.1030937-27-9

CAS: 1030937-27-9 Cat. No.: L335358 Fórmula: C₂₂H₁₉D₄ClN₆O Peso molecular: 426.94

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

F85135 | (2-Butyl-4-chloro-1-{[2'-(2H-tetrazol-5-yl)(2,3,5,6-~2~H_4_)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazol-5-yl)methanol | (1-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl-2,3,5,6-d4)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methanol | 1030937-27-9 | AK

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Losartan-d4 is a deuterium-labeled version of Losartan, a nonpeptide angiotensin II AT1-receptor antagonist. This compound prevents the signal cascade initiated by angiotensin II binding to the receptor, thus inhibiting vasoconstriction and in turn increasing capillary blood volume. This compound is useful in kinetic isotope effect studies and as an internal standard in NMR experiments.

Specifications

Sinónimos

F85135 | (2-Butyl-4-chloro-1-{[2'-(2H-tetrazol-5-yl)(2,3,5,6-~2~H_4_)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazol-5-yl)methanol | (1-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl-2,3,5,6-d4)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methanol | 1030937-27-9 | AK

Especificações e pureza

≥98 atom% D,≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98 atom% D,≥98%

Nomes e identificadores

Pubchem Sid

504770035

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770035

Sorrisos canónicos

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl

IUPAC Name

[2-butyl-5-chloro-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol

InChIKey

PSIFNNKUMBGKDQ-IRYCTXJYSA-N

INCHI

1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)/i9D,10D,11D,12D

SMILES isoméricas

[2H]C1=C(C(=C(C(=C1CN2C(=NC(=C2CO)Cl)CCCC)[2H])[2H])C3=CC=CC=C3C4=NNN=N4)[2H]

Peso molecular

426.94

Reaxy-Rn

4828951

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4828951&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenyltetrazoles and derivatives 1,2,4,5-tetrasubstituted imidazoles N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Phenyltetrazole - 1,2,4,5-tetrasubstituted imidazole - Aryl chloride - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azole - Tetrazole - Imidazole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Chlorform and Methanol
• Ponto de fusão (°C): 128-140° C (dec.)
• Peso molecular: 426.900 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 426.187 Da
• Monoisotopic Mass: 426.187 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 520.000
• Isotope Atom Count: 4
• Defined Atom Stereocenter Count: 0
• 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

Perguntas frequentes

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1030937-27-9, the molecular formula is C22H23ClN6O, and the molecular weight is 426.94 g/mol. InChIKey PSIFNNKUMBGKDQ-IRYCTXJYSA-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.