Structure & Deep Data of Vabicaserin (C15H20N2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Vabicaserin molecule contains a total of 40 bond(s). There are 20 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 seven-membered ring(s), 1 nine-membered ring(s), 1 ten-membered ring(s), 2 eleven-membered ring(s), 1 secondary amine(s) (aliphatic), and 1 tertiary amine(s) (aromatic). Images of the chemical structure of Vabicaserin are given below:

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

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Additional Information for Identifying Vabicaserin Molecule

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

  The SMILES string of Vabicaserin is C2CC1CN3CCNCc4cccc(C1C2)c34, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Vabicaserin.

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

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

• Chemical formula of Vabicaserin

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

• Molecular weight of Vabicaserin

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

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

  • cis-4,5,6,7,9,9a,10,11,12,12a-Decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline
  • Cyclopenta(4,5)pyrido(3,2,1-jk)(1,4)benzodiazepine, 1,2,3,4,6,6a,7,8,9,9a-decahydro-, (6aR,9aS)-
  • 887258-95-9
  • (-)-(9aR*,12aS*)-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta(4,5)pyrido(3,2,1-jk)(1,4)benzodiazepine
  • BDBM50076216
  • WD9550HPNL
  • Cyclopenta(4,5)pyrido(3,2,1-jk)(1,4)benzodiazepine, 4,5,6,7,9,9a,10,11,12,12a-decahydro-, (9aR,12aS)-rel-(-)-
  • 620948-93-8
  • Vabicaserin [INN]
  • Vabicaserin

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Vabicaserin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Vabicaserin?
C15H20N2
How many atoms and what are the elements included the Vabicaserin molecule?
37 atom(s) - 20 Hydrogen atom(s), 15 Carbon atom(s), and 2 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are included the Vabicaserin structure?
40 bond(s) - 20 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 seven-membered ring(s), 1 nine-membered ring(s), 1 ten-membered ring(s), 2 eleven-membered ring(s), 1 secondary amine(s) (aliphatic), and 1 tertiary amine(s) (aromatic)
What’s the Vabicaserin’s molecular weight?
228.3327 g/mol
What’s the SMILES code of Vabicaserin?
C2CC1CN3CCNCc4cccc(C1C2)c34
What’s the InChI string of Vabicaserin?
InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m0/s1
What’s the InChIKey code of Vabicaserin?
NPTIPEQJIDTVKR-STQMWFEESA-N

20 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).