Structure & Deep Data of Lafutidine (C22H29N3O4S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The lafutidine molecule contains a total of 61 bond(s). There are 32 non-H bond(s), 14 multiple bond(s), 11 rotatable bond(s), 3 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aromatic), 1 sulfoxide(s), 1 Furane(s), and 1 Pyridine(s). Images of the chemical structure of lafutidine are given below:

The 2D chemical structure image of lafutidine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of lafutidine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of lafutidine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of lafutidine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Lafutidine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of lafutidine

  The SMILES string of lafutidine is O=C(CS(=O)Cc1ccco1)NCC=CCOc3cc(CN2CCCCC2)ccn3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the lafutidine.

• Structure Data File (SDF/MOL File) of lafutidine

  The structure data file (SDF/MOL File) of lafutidine is available for download in the SDF page of lafutidine, which provides the information about the atoms, bonds, connectivity and coordinates of lafutidine. The lafutidine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of lafutidine

  The molecular formula of lafutidine is available in chemical formula page of lafutidine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of lafutidine

  The molecular weight of lafutidine is available in molecular weight page of lafutidine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of lafutidine

  The lafutidine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of lafutidine including the various registry numbers, if available:

  • 2-(furan-2-ylmethylsulfinyl)-N-[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]acetamide
  • 2-(2-furylmethylsulfinyl)-N-[(Z)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]acetamide
  • 143375-16-0
  • (Z)-2-(FURAN-2-YLMETHYLSULFINYL)-N-(4-(4-(PIPERIDIN-1-YLMETHYL)PYRIDIN-2-YLOXY)BUT-2-ENYL)ACETAMIDE
  • F0001-2391
  • J-521629
  • L001355
  • D01131
  • H692
  • HY-B0160

  • 206449-93-6
  • C22H29N3O4S
  • Ambap118288-08-7
  • Lafutidine, >=98% (HPLC)
  • Lafutidine (JP17/INN)
  • DL-p-Lactophenetidide
  • Lafutidine [INN]
  • FRG 8813
  • Protecadin (TN)
  • Stogar

  • Laftidine
  • laflutidine
  • CAS-118288-08-7
  • Acetamide, 2-((2-furanylmethyl)sulfinyl)-N-(4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)-, (Z)-
  • (+-)-2-(Furfurylsulfinyl)-N-((Z)-4-((4-(piperidinomethyl)-2-pyridyl)oxy)-2-butenyl) acetamide
  • (+-)-2-(Furfurylsulfinyl)-N-(4-(4-(piperidinomethyl)-2-pyridyl)oxy-(Z)-2-butenyl)acetamide
  • (Z)-2-((FURAN-2-YLMETHYL)SULFINYL)-N-(4-((4-(PIPERIDIN-1-YLMETHYL)PYRIDIN-2-YL)OXY)BUT-2-EN-1-YL)ACETAMIDE
  • N-(4-(4-Piperidinylmethyl)pyridyl-2-oxy)butenyl-2-(furfurylsulfinyl)acetamide
  • Protecadin
  • FRG-8813

  • lafutidine

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Lafutidine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of lafutidine?
C22H29N3O4S
How many atoms and what are the elements included the lafutidine molecule?
59 atom(s) - 29 Hydrogen atom(s), 22 Carbon atom(s), 3 Nitrogen atom(s), 4 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the lafutidine structure?
61 bond(s) - 32 non-H bond(s), 14 multiple bond(s), 11 rotatable bond(s), 3 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aromatic), 1 sulfoxide(s), 1 Furane(s), and 1 Pyridine(s)
What’s the lafutidine’s molecular weight?
431.54836 g/mol
What’s the SMILES code of lafutidine?
O=C(CS(=O)Cc1ccco1)NCC=CCOc3cc(CN2CCCCC2)ccn3
What’s the InChI string of lafutidine?
InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2-
What’s the InChIKey code of lafutidine?
KMZQAVXSMUKBPD-DJWKRKHSSA-N

46 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).