Ranitidine

C13H22N4O3SCAS 66357-35-5314.40 g/mol

Open in Covalent MOL file
HNN+OO−HNSNO
AlkeneNitroSecondary amineSulfideTertiary amine

Properties

Molecular formula
C13H22N4O3S
Molar mass
314.40 g/mol
Exact mass
314.1413 Da
Melting point
69–70 °C
pKa
8.31
logP
1.46Crippen estimate
Polar surface area
83.6 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
66357-35-5
SMILES
CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
InChIKey
VMXUWOKSQNHOCA-UHFFFAOYSA-N
InChI
InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-
  • N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-1,1-ethenediamine
  • Midaven
  • Zenetac
  • Ulcerit
  • Label

Work with Ranitidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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.

Ranitidine hydrochloride66357-59-3Salt 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N′-methyl-2-nitro-, hydrochloride (1:?)71130-06-8Salt

Similar compounds

Nizatidine76963-41-263 % similar 5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine66356-53-445 % similar ((2-(Hydroxymethyl)-5-furyl)methyl)ammonium chloride81074-81-933 % similar N-[(6-Chloro-3-pyridinyl)methyl]-N-ethyl-N′-methyl-2-nitro-1,1-ethenediamine120738-89-832 % similar Nitenpyram150824-47-832 % similar N-Methyl-1-(methylthio)-2-nitroethenamine61832-41-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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