Structure & Deep Data of Dihydroxy Bendamustine (C16H23N3O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Dihydroxy Bendamustine molecule contains a total of 47 bond(s). There are 24 non-H bond(s), 11 multiple bond(s), 9 rotatable bond(s), 1 double bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 tertiary amine(s) (aromatic), 3 hydroxyl group(s), 2 primary alcohol(s), and 1 Imidazole(s). Images of the chemical structure of Dihydroxy Bendamustine are given below:

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

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Additional Information for Identifying Dihydroxy Bendamustine Molecule

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

  The SMILES string of Dihydroxy Bendamustine is Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCO)CCO, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Dihydroxy Bendamustine.

• Structure Data File (SDF/MOL File) of Dihydroxy Bendamustine

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

• Chemical formula of Dihydroxy Bendamustine

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

• Molecular weight of Dihydroxy Bendamustine

  The molecular weight of Dihydroxy Bendamustine is available in molecular weight page of Dihydroxy Bendamustine, 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 Dihydroxy Bendamustine

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

  • 4-{5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoic acid
  • 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic Acid
  • 1H-Benzimidazole-2-butanoic acid, 5-(bis(2-hydroxyethyl)amino)-1-methyl-
  • Des(di(2-chloroethyl))-di(2-hydroxyethyl) bendamustine
  • Dihydroxybendamustine
  • 109882-30-6
  • 64ELC90802
  • Dihydroxy Bendamustine

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Dihydroxy Bendamustine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Dihydroxy Bendamustine?
C16H23N3O4
How many atoms and what are the elements included the Dihydroxy Bendamustine molecule?
46 atom(s) - 23 Hydrogen atom(s), 16 Carbon atom(s), 3 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Dihydroxy Bendamustine structure?
47 bond(s) - 24 non-H bond(s), 11 multiple bond(s), 9 rotatable bond(s), 1 double bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 tertiary amine(s) (aromatic), 3 hydroxyl group(s), 2 primary alcohol(s), and 1 Imidazole(s)
What’s the Dihydroxy Bendamustine’s molecular weight?
321.37152 g/mol
What’s the SMILES code of Dihydroxy Bendamustine?
Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCO)CCO
What’s the InChI string of Dihydroxy Bendamustine?
InChI=1S/C16H23N3O4/c1-18-14-6-5-12(19(7-9-20)8-10-21)11-13(14)17-15(18)3-2-4-16(22)23/h5-6,11,20-21H,2-4,7-10H2,1H3,(H,22,23)
What’s the InChIKey code of Dihydroxy Bendamustine?
XQMDIDKYVZPCNV-UHFFFAOYSA-N

36 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).