Cimetidine hydrochlorideProduct ingredient for Cimetidine
- Name
- Cimetidine hydrochloride
- Drug Entry
- Cimetidine
A histamine congener, it competitively inhibits histamine binding to histamine H2 receptors. Cimetidine has a range of pharmacological actions. It inhibits gastric acid secretion, as well as pepsin and gastrins output. It also blocks the activity of cytochrome P-450 which might explain proposals for use in neoadjuvant therapy.
- Accession Number
- DBSALT000287
- Structure
Structure for Cimetidine hydrochloride (DBSALT000287)
- Synonyms
- Cimetidine HCl
- UNII
- WF10491673
- CAS Number
- 70059-30-2
- Weight
- Average: 288.8
Monoisotopic: 288.092392971 - Chemical Formula
- C10H17ClN6S
- InChI Key
- QJHCNBWLPSXHBL-UHFFFAOYSA-N
- InChI
- 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
- IUPAC Name
- N-cyano-N''-methyl-N'-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)guanidine hydrochloride
- SMILES
- Cl.CN=C(NCCSCC1=C(C)N=CN1)NC#N
- External Links
- PubChem Compound
- 50963
- ChemSpider
- 46196
- ChEBI
- 50362
- ChEMBL
- CHEMBL1201051
- Wikipedia
- Cimetidine
- Predicted Properties
Property Value Source Water Solubility 0.811 mg/mL ALOGPS logP 0.46 ALOGPS logP -0.29 Chemaxon logS -2.5 ALOGPS pKa (Strongest Acidic) 14.15 Chemaxon pKa (Strongest Basic) 6.53 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 88.89 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 70.21 m3·mol-1 Chemaxon Polarizability 27.55 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon