Cimetidine

Synonyms: cimetidine, "Tagamet", "Eureceptor", "Tametin", "Ulcedine", "Dyspamet", "Ulcedin", "Cimetag", "Acinil", "Tratul", "Gastromet", "Cimetidina", "Acibilin", "Ulcomet", "Ulcimet", "Edalene", "Cimetum", "Ulhys", "Cimal", "Tagamet Hb", "Tagamet Hb 200", "Cimetidine Hcl", "Cimetidinum", "Ulcomedina", "Valmagen", "Metracin", "Altramet", "Ulcofalk", "Ulcestop", "Gastrobitan", "Evicer", "Peptol", "Sigmetadine", "Magicul", "Venopex", "2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine"

Source: Cimetidine is a drug for the reduction of gastric acid secretion.

Identifiers:

IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CAS Number: 51481-61-9
PubChem ID: 2756
InChiKey: AQIXAKUUQRKLND-UHFFFAOYSA-N
Canonical SMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#N

Structural Properties:

Molecular Formula: C₁₀H₁₆N₆S
Molecular Weight: 252,340

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 4
Number of atoms different from hydrogen: 17

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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