Structure & Deep Data of Zamifenacin (C27H29NO3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Zamifenacin molecule contains a total of 64 bond(s). There are 35 non-H bond(s), 18 multiple bond(s), 7 rotatable bond(s), 18 aromatic bond(s), 1 five-membered ring(s), 4 six-membered ring(s), 1 nine-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aliphatic), and 2 ether(s) (aromatic). Images of the chemical structure of Zamifenacin are given below:

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

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Additional Information for Identifying Zamifenacin Molecule

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

  The SMILES string of Zamifenacin is C1CC(CN(C1)CCc3ccc2OCOc2c3)OC(c4ccccc4)c5ccccc5, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Zamifenacin.

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

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

• Chemical formula of Zamifenacin

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

• Molecular weight of Zamifenacin

  The molecular weight of Zamifenacin is available in molecular weight page of Zamifenacin, 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 Zamifenacin

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

  • PIPERIDINE,1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-3-(DIPHENYLMETHOXY)-, (3R)-
  • Piperidine, 1-(2-(1,3-benzodioxol-5-yl)ethyl)-3-(diphenylmethoxy)-, (R)-
  • (R)-3-(Benzhydryloxy)-1-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)piperidine
  • CAS-127308-82-1
  • Y88Q418Y7M
  • UK-766542 [As Fumarate]
  • UK 76654
  • 127308-82-1
  • Zamifenacin
  • (3R)-3-benzhydryloxy-1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine

  • BRD-K80451230-051-01-8

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Zamifenacin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Zamifenacin?
C27H29NO3
How many atoms and what are the elements included the Zamifenacin molecule?
60 atom(s) - 29 Hydrogen atom(s), 27 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Zamifenacin structure?
64 bond(s) - 35 non-H bond(s), 18 multiple bond(s), 7 rotatable bond(s), 18 aromatic bond(s), 1 five-membered ring(s), 4 six-membered ring(s), 1 nine-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aliphatic), and 2 ether(s) (aromatic)
What’s the Zamifenacin’s molecular weight?
415.52406 g/mol
What’s the SMILES code of Zamifenacin?
C1CC(CN(C1)CCc3ccc2OCOc2c3)OC(c4ccccc4)c5ccccc5
What’s the InChI string of Zamifenacin?
InChI=1S/C27H29NO3/c1-3-8-22(9-4-1)27(23-10-5-2-6-11-23)31-24-12-7-16-28(19-24)17-15-21-13-14-25-26(18-21)30-20-29-25/h1-6,8-11,13-14,18,24,27H,7,12,15-17,19-20H2/t24-/m1/s1
What’s the InChIKey code of Zamifenacin?
BDNFQGRSKSQXRI-XMMPIXPASA-N

31 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).