Ranitidine - Moligand™, ≥98% , Antagonist of H 2 receptor, CAS No.66357-35-5, Antagonist of H 2 receptor

CAS: 66357-35-5 Cat. No.: R304317 Formule: C₁₃H₂₂N₄O₃S Poids moléculaire: 314.39 Numéro CE: 266-332-5 PubChem CID: 3001055

QUALITÉ & PURETÉ Moligand™, ≥98%

Synonyms

Ranitidine base

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

Ranitidine base

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C,Argon charged,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of H 2 receptor

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528776387

Sourires canoniques

CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C

IUPAC Name

(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine

InChIKey

VMXUWOKSQNHOCA-UKTHLTGXSA-N

INCHI

1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+

Isomères SMILES

CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C

PubChem CID

3001055

Poids moléculaire

314.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Heteroaromatic compounds Furans Trialkylamines C-nitro compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkylthioethers Dialkylamines Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Furan - Heteroaromatic compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Secondary aliphatic amine - Organic oxoazanium - Secondary amine - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organoheterocyclic compound - Dialkylthioether - Organic zwitterion - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• External Descriptors: C-nitro compound - tertiary amino compound - furans

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
• Sensibilité: Moisture sensitive
• Point d'ébullition (°C): 437.1ºC
• Point de fusion (°C): 69-70°C
• Poids moléculaire: 314.410 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 314.141 Da
• Monoisotopic Mass: 314.141 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 347.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1