Cimetidine
Properties
- Molecular formula
- C10H16N6S
- Molar mass
- 252.34 g/mol
- Exact mass
- 252.1157 Da
- Melting point
- 141–143 °C
- pKa
- 6.8
- Water solubility
- 5 g/L (20 °C)
- logP
- 0.60Crippen estimate
- Polar surface area
- 88.9 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 5
Hazards
Danger
- H318 Causes serious eye damage39.1% of notifiers
- H360 May damage fertility or the unborn child57.2% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure25.4% of notifiers
Aggregated from 138 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264+P265, P280, P305+P354+P338, P317, P318, P319, P405, P501
Identifiers
CAS number
51481-61-9SMILES
CN=C(NC#N)NCCSCc1[nH]cnc1CInChIKey
AQIXAKUUQRKLND-UHFFFAOYSA-NInChI
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)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
35 names · show all
- Tamagret
- Fremet
- Ulcerex
- Tagamet HB 200
- Tagamet HB
- 1-Cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
- 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
- N-Cyano-N′-methyl-N′′-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine
- Tagamet
- Eureceptor
- Histodil
- Biomet
- Ulcimet
- Cimetag
- Dyspamet
- Acinil
- Tametin
- Peptol
- Ulcofalk
- Cimal
- Tratul
- Ulcerfen
- Ulhys
- Ulcomedina
- Edalene
- Cimetum
- SKF 92334
- Ulcedin
- Ulcedine
- Gastromet
- Ulcomet
- Acibilin
- NSC 335308
Work with Cimetidine
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
4-Hydroxymethyl-5-methyl-1H-imidazole29636-87-133 % similar
4-Methylimidazol-5-ylmethanolhydrochloride38585-62-531 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.