Structure & Deep Data of DEXAMETHASONE TEBUTATE (C28H39FO6)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The DEXAMETHASONE TEBUTATE molecule contains a total of 77 bond(s). There are 38 non-H bond(s), 5 multiple bond(s), 6 rotatable bond(s), 5 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 ester(s) (aliphatic), 2 ketone(s) (aliphatic), 2 hydroxyl group(s), 1 secondary alcohol(s), and 1 tertiary alcohol(s). Images of the chemical structure of DEXAMETHASONE TEBUTATE are given below:

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

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Additional Information for Identifying DEXAMETHASONE TEBUTATE Molecule

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

  The SMILES string of DEXAMETHASONE TEBUTATE is CC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)COC(=O)CC(C)(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the DEXAMETHASONE TEBUTATE.

• Structure Data File (SDF/MOL File) of DEXAMETHASONE TEBUTATE

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

• Chemical formula of DEXAMETHASONE TEBUTATE

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

• Molecular weight of DEXAMETHASONE TEBUTATE

  The molecular weight of DEXAMETHASONE TEBUTATE is available in molecular weight page of DEXAMETHASONE TEBUTATE, 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 DEXAMETHASONE TEBUTATE

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

  • 202923-76-0
  • 1,4-PREGNADIEN-9ALPHA-FLUORO-16ALPHA-METHYL-11BETA,17ALPHA,21-TRIOL3,20-DIONE21-T-BUTYLACETATE
  • D07799
  • Dexamethasone 21-(3,3-dimethylbutyrate)
  • 7487-71-0
  • Dexamethasone tertiary butyl acetate
  • Dexamethasone 21-tert-Butylacetate
  • Dexamedium [veterinary] (TN)
  • BIDD:PXR0039
  • 8IPA7Z9N7Y

  • Dexamethasone 21-tebutate
  • Dexamethason 21-tert-butylacetate
  • Dexamethason 21-tert-butylacetat
  • Dexamethasone tert-butylacetate
  • 9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)
  • Decadron TBA
  • DEXAMETHASONE TEBUTATE
  • 24668-75-5

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DEXAMETHASONE TEBUTATE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of DEXAMETHASONE TEBUTATE?
C28H39FO6
How many atoms and what are the elements included the DEXAMETHASONE TEBUTATE molecule?
74 atom(s) - 39 Hydrogen atom(s), 28 Carbon atom(s), 6 Oxygen atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the DEXAMETHASONE TEBUTATE structure?
77 bond(s) - 38 non-H bond(s), 5 multiple bond(s), 6 rotatable bond(s), 5 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 ester(s) (aliphatic), 2 ketone(s) (aliphatic), 2 hydroxyl group(s), 1 secondary alcohol(s), and 1 tertiary alcohol(s)
What’s the DEXAMETHASONE TEBUTATE’s molecular weight?
490.604063 g/mol
What’s the SMILES code of DEXAMETHASONE TEBUTATE?
CC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)COC(=O)CC(C)(C)C
What’s the InChI string of DEXAMETHASONE TEBUTATE?
InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1
What’s the InChIKey code of DEXAMETHASONE TEBUTATE?
PQVDYPCHUGFHAR-PKWREOPISA-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).