Structure & Deep Data of 4-Desmethoxy-4-chloro Omeprazole (C16H16ClN3O2S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 4-Desmethoxy-4-chloro Omeprazole molecule contains a total of 41 bond(s). There are 25 non-H bond(s), 17 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 16 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 ether(s) (aromatic), 1 sulfoxide(s), 1 Imidazole(s), and 1 Pyridine(s). Images of the chemical structure of 4-Desmethoxy-4-chloro Omeprazole are given below:

The 2D chemical structure image of 4-Desmethoxy-4-chloro Omeprazole is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-Desmethoxy-4-chloro Omeprazole 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 4-Desmethoxy-4-chloro Omeprazole 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 4-Desmethoxy-4-chloro Omeprazole. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 4-Desmethoxy-4-chloro Omeprazole Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 4-Desmethoxy-4-chloro Omeprazole

  The SMILES string of 4-Desmethoxy-4-chloro Omeprazole is COc2ccc1nc([nH]c1c2)S(=O)Cc3ncc(C)c(Cl)c3C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4-Desmethoxy-4-chloro Omeprazole.

• Structure Data File (SDF/MOL File) of 4-Desmethoxy-4-chloro Omeprazole

  The structure data file (SDF/MOL File) of 4-Desmethoxy-4-chloro Omeprazole is available for download in the SDF page of 4-Desmethoxy-4-chloro Omeprazole, which provides the information about the atoms, bonds, connectivity and coordinates of 4-Desmethoxy-4-chloro Omeprazole. The 4-Desmethoxy-4-chloro Omeprazole structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 4-Desmethoxy-4-chloro Omeprazole

  The molecular formula of 4-Desmethoxy-4-chloro Omeprazole is available in chemical formula page of 4-Desmethoxy-4-chloro Omeprazole, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 4-Desmethoxy-4-chloro Omeprazole

  The molecular weight of 4-Desmethoxy-4-chloro Omeprazole is available in molecular weight page of 4-Desmethoxy-4-chloro Omeprazole, 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 4-Desmethoxy-4-chloro Omeprazole

  The 4-Desmethoxy-4-chloro Omeprazole compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-Desmethoxy-4-chloro Omeprazole including the various registry numbers, if available:

  • 2-[(4-CHLORO-3,5-DIMETHYLPYRIDIN-2-YL)METHANESULFINYL]-5-METHOXY-3H-1,3-BENZODIAZOLE
  • 5-Methoxy-2-[[(4-Chloro-3,5-dimethyl-pyridine-2-yl)methyl]sulfinyl]-1H-benzimidazole
  • 2-[[(4-Chloro-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-6-methoxy-1H-benzimidazole
  • 2-[[(4-Chloro-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-5-methoxy-1H-benzimidazole
  • 2-[(4-chloro-3,5-dimethylpyridin-2-yl)methanesulfinyl]-6-methoxy-1H-1,3-benzodiazole
  • 2-(((4-Chloro-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-5-methoxy-1H-benzo[d]imidazole
  • 3B1-008604
  • 2-((RS)-((4-Chloro-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-5-methoxy-1H-benzimidazole
  • (RS)-4-Desmethoxy-4-chloro Omeprazole
  • (S)-4-DESMETHOXY-4-CHLORO OMEPRAZOLE

  • 1H-Benzimidazole, 2-[[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-6-methoxy-
  • 4-Desmethoxy-4-chloroomeprazole
  • Omeprazole impurity H [EP]
  • 1H-Benzimidazole, 2-(((4-chloro-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-6-methoxy-
  • 863029-89-4
  • 4-Desmethoxy-4-chloro Omeprazole
  • (+/-)-4-Desmethoxy-4-chloro omeprazole

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4-Desmethoxy-4-chloro Omeprazole Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 4-Desmethoxy-4-chloro Omeprazole?
C16H16ClN3O2S
How many atoms and what are the elements included the 4-Desmethoxy-4-chloro Omeprazole molecule?
39 atom(s) - 16 Hydrogen atom(s), 16 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s), 1 Sulfur atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the 4-Desmethoxy-4-chloro Omeprazole structure?
41 bond(s) - 25 non-H bond(s), 17 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 16 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 ether(s) (aromatic), 1 sulfoxide(s), 1 Imidazole(s), and 1 Pyridine(s)
What’s the 4-Desmethoxy-4-chloro Omeprazole’s molecular weight?
349.83514 g/mol
What’s the SMILES code of 4-Desmethoxy-4-chloro Omeprazole?
COc2ccc1nc([nH]c1c2)S(=O)Cc3ncc(C)c(Cl)c3C
What’s the InChI string of 4-Desmethoxy-4-chloro Omeprazole?
InChI=1S/C16H16ClN3O2S/c1-9-7-18-14(10(2)15(9)17)8-23(21)16-19-12-5-4-11(22-3)6-13(12)20-16/h4-7H,8H2,1-3H3,(H,19,20)
What’s the InChIKey code of 4-Desmethoxy-4-chloro Omeprazole?
LZEPUBIBIWJUSW-UHFFFAOYSA-N

69 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).