Telmisartan-d3 - ≥98 atom% D,≥98% , CAS No.1189889-44-8

CAS: 1189889-44-8 Cat. No.: T343167 Summenformel: C₃₃H₂₇D₃N₄O₂ Molekulargewicht: 517.64 PubChem CID: 45040461

QUALITÄT & REINHEIT ≥98 atom% D,≥98%

Synonyms

[2H3]-Telmisartan

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

A labeled Telmisartan, which is an angiotensin II receptor antagonist.

Spezifikationen

Synonyme

[2H3]-Telmisartan

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

Kanonisches Lächeln

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C

IUPAC Name

2-[4-[[4-methyl-2-propyl-6-[1-(trideuteriomethyl)benzimidazol-2-yl]benzimidazol-1-yl]methyl]phenyl]benzoic acid

InChIKey

RMMXLENWKUUMAY-HPRDVNIFSA-N

INCHI

1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)/i3D3

Isomere SMILES

[2H]C([2H])([2H])N1C2=CC=CC=C2N=C1C3=CC4=C(C(=C3)C)N=C(N4CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O)CCC

Alternative CAS-Nummer

144701-48-4（Unlabelled）

PubChem CID

45040461

Molekulargewicht

517.64

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzoic acids Benzimidazoles Benzoyl derivatives N-substituted imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Benzimidazole - Benzoic acid or derivatives - Benzoic acid - Benzoyl - N-substituted imidazole - Imidazole - Heteroaromatic compound - Azole - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMF and DMSO
• Schmelzpunkt (°C): 156-158° C
• Molekulargewicht: 517.600 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 517.256 Da
• Monoisotopic Mass: 517.256 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 831.000
• Isotope Atom Count: 3
• 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