Cimetidine (hydrochloride) (Standard) , CAS No.70059-30-2

CAS: 70059-30-2 Cat. No.: C1418432 Molecular Weight: 288.8 Beilstein Registry Number: 5668216 EC Number: 274-297-2 PubChem CID: 50963

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Cimetidine (hydrochloride) (Standard) is the analytical standard of Cimetidine (hydrochloride). This product is intended for research and analytical applications. Cimetidine (SKF-92334) hydrochloride is an orally active and inverse histamine H2 receptor antagonist with a Ki of 0.6 μM. Cimetidine hydrochloride is a gastric acid reducer, and can be used for duodenal and gastric ulcers research. Cimetidine hydrochloride has anti-cancer and anti-inflammatory activity.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC1=C(N=CN1)CSCCNC(=NC)NC#N.Cl
• IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine;hydrochloride
• InChIKey: QJHCNBWLPSXHBL-UHFFFAOYSA-N
• INCHI: 1S/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H
• Isomeric SMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#N.Cl
• PubChem CID: 50963
• Molecular Weight: 288.8
• Beilstein: 5668216

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Heteroaromatic compounds Guanidines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Carboximidamides Azacyclic compounds Organopnictogen compounds Imines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidazole - Heteroaromatic compound - Guanidine - Thioether - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Azacycle - Organic nitrogen compound - Organopnictogen compound - Imine - Organonitrogen compound - Organosulfur compound - Hydrochloride - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• External Descriptors: hydrochloride

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