Cimetidine

CAS Registry Number®

51481-61-9
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CAS Name

Cimetidine

Molecular Formula

C10H16N6S

Molecular Mass

252.34

Cite this Page

Cimetidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51481-61-9 (retrieved 2024-07-16) (CAS RN: 51481-61-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    141-143 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C10H16N6S/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)

InChIKey

InChIKey=AQIXAKUUQRKLND-UHFFFAOYSA-N

SMILES

C(SCCN=C(NC#N)NC)C1=C(C)N=CN1

Canonical SMILES

N#CNC(=NCCSCC=1NC=NC1C)NC

Other Names for this Substance

  • Guanidine, N-cyano-N′′-methyl-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]-
  • Guanidine, N-cyano-N′-methyl-N′′-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-
  • N-Cyano-N′′-methyl-N′-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]guanidine
  • Cimetidine
  • N-Cyano-N′-methyl-N′′-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine

Deleted or Replaced CAS Registry Numbers

79347-40-3