Formula of 1-DOCOSANOL (C22H46O)

Chemical Formula Description

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Additional Information for Identifying 1-DOCOSANOL Molecule

• Structure Data File (SDF/MOL File) of 1-DOCOSANOL

  The structure data file (SDF/MOL File) of 1-DOCOSANOL is available for download in the SDF page of 1-DOCOSANOL providing the information about the atoms, bonds, connectivity and coordinates of 1-DOCOSANOL, which is not completely available in the chemical formula representation. The 1-DOCOSANOL structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

• Chemical structure of 1-DOCOSANOL

  The chemical structure image of 1-DOCOSANOL is available in chemical structure page of 1-DOCOSANOL, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 1-DOCOSANOL and the chemical bonds that hold the atoms together.

• Molecular weight of 1-DOCOSANOL

  The molecular weight of 1-DOCOSANOL is available in molecular weight page of 1-DOCOSANOL, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of 1-DOCOSANOL.

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• InChI (IUPAC International Chemical Identifier) information of 1-DOCOSANOL

  The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 1-DOCOSANOL is:

  InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3

  It can provide a standard way to encode the molecular information of 1-DOCOSANOL to facilitate the search for the compound information in databases and on the web.
  
  

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 1-DOCOSANOL is:

  InChIKey=NOPFSRXAKWQILS-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 1-DOCOSANOL, but it needs to be linked to the full InChI to get back to the original structure of the 1-DOCOSANOL since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 1-DOCOSANOL

  The 1-DOCOSANOL compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 1-DOCOSANOL including the registry numbers is given below, if available:

  • I14-19460
  • SR-05000001915-1
  • C-33691
  • SBI-0206938.P001
  • K949
  • CAS-661-19-8
  • Behenyl alcohol;Abreva;1-Docosanol;Abreva
  • 1-Docosanol, purum, >=97.0% (GC)
  • RTR-022408
  • Docosanol-Supplied by Selleck Chemicals

  • CCG-213539
  • ANW-35147
  • HY-B0222
  • CPD-7845
  • Pharmakon1600-01505729
  • 9G1OE216XY
  • Emery 3304
  • 1-Docosanol, 98%
  • Docosanol (Abreua)
  • Docosanol-(1)

  • C22 Alcohol
  • behenic alcohol;
  • Lafrost
  • Blistex
  • Behenyl alcohol, AI3-36489, Behenic alcohol, 1-Docosanol, Docosyl alcohol, IK-2, Tadenan
  • A3D72D45-625E-49B5-B0FC-394010B3485D
  • Behenyl alcohol, Abreva, 1-Docosanol, Docosanol
  • V-1326
  • D03884
  • D0964

  • MFCD00002939
  • LMFA05000008
  • HMS2093P22
  • BEHENYL ALCOHOL, 98%
  • Loxiol VPG 1451
  • 30303-65-2
  • Abreva (TN)
  • Cachalot BE-22
  • Docosanol (USAN)
  • docosanyl alcohol

  • C22H46O
  • Debat
  • IK.2
  • Herepair
  • Doconsanol
  • NAA 422
  • Docosanol [USAN]
  • Docosanol (VAN)
  • IK 2
  • Healip

  • Erazaban
  • Nacol 22-97
  • Stenol 1822A
  • Stenol 1822
  • Lidakol
  • Lanette 22
  • Lidavol
  • Tadenan
  • Docosyl alcohol
  • Abreva

  • n-Docosanol
  • Behenic alcohol
  • 661-19-8
  • Docosanol
  • Behenyl alcohol
  • 1-DOCOSANOL
  • A8416

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1-DOCOSANOL Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-DOCOSANOL?
C22H46O
How many atoms and what are they in the 1-DOCOSANOL structure?
69 atom(s) - 46 Hydrogen atom(s), 22 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what are they in the 1-DOCOSANOL structure?
68 bond(s) - 22 non-H bond(s), 20 rotatable bond(s), 1 hydroxyl group(s), and 1 primary alcohol(s)
What’s the molecular weight of 1-DOCOSANOL?
326.60004 g/mol
What’s the SMILES string of 1-DOCOSANOL?
CCCCCCCCCCCCCCCCCCCCCCO
What’s the InChI of 1-DOCOSANOL?
InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
What’s the InChIKey of 1-DOCOSANOL?
NOPFSRXAKWQILS-UHFFFAOYSA-N

357 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).