NO-Losartan A , CAS No.791122-48-0

CAS: 791122-48-0 Cat. No.: N1266065 PubChem CID: 10371403

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ACTIVATOR

Nombres e identificadores

• Sonrisas canónicas: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)COC(=O)C5=CC=CC(=C5)CO[N+](=O)[O-])Cl
• IUPAC Name: [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl 3-(nitrooxymethyl)benzoate
• InChIKey: MWJCPZGVGOVWQZ-UHFFFAOYSA-N
• INCHI: 1S/C30H28ClN7O5/c1-2-3-11-27-32-28(31)26(19-42-30(39)23-8-6-7-21(16-23)18-43-38(40)41)37(27)17-20-12-14-22(15-13-20)24-9-4-5-10-25(24)29-33-35-36-34-29/h4-10,12-16H,2-3,11,17-19H2,1H3,(H,33,34,35,36)
• Isómeros SMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)COC(=O)C5=CC=CC(=C5)CO[N+](=O)[O-])Cl
• PubChem CID: 10371403

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenyltetrazoles and derivatives Benzoic acid esters 1,2,4,5-tetrasubstituted imidazoles Benzoyl derivatives Aryl chlorides N-substituted imidazoles Alkyl nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids and derivatives Carboxylic acid esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organic salts Organic zwitterions
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Phenyltetrazole - Benzoate ester - 1,2,4,5-tetrasubstituted imidazole - Benzoic acid or derivatives - Benzoyl - Aryl chloride - Aryl halide - N-substituted imidazole - Organic nitrate - Azole - Heteroaromatic compound - Alkyl nitrate - Imidazole - Tetrazole - Carboxylic acid ester - Organic nitro compound - Organic nitric acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 602.000 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 601.184 Da
• Monoisotopic Mass: 601.184 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 891.000
• Isotope Atom Count: 0
• 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