Formula of Normelicopicine (C17H17NO5)
Identification of Normelicopicine Chemical Compound
Chemical Formula | C17H17NO5 |
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Molecular Weight | 315.32058 g/mol |
IUPAC Name | 1-hydroxy-2,3,4-trimethoxy-10-methyl-9,10-dihydroacridin-9-one |
SMILES String | COc3c(OC)c(OC)c2n(C)c1ccccc1c(=O)c2c3O |
InChI | InChI=1S/C17H17NO5/c1-18-10-8-6-5-7-9(10)13(19)11-12(18)15(21-2)17(23-4)16(22-3)14(11)20/h5-8,20H,1-4H3 |
InChIKey | UGEKWKMLXLFVIY-UHFFFAOYSA-N |
Chemical Formula Description
The Normelicopicine molecule contains a total of 40 atom(s). There are 17 Hydrogen atom(s), 17 Carbon atom(s), 1 Nitrogen atom(s), and 5 Oxygen atom(s). A chemical formula of Normelicopicine can therefore be written as:
C17H17NO5
The chemical formula of Normelicopicine shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Normelicopicine Molecule
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Structure Data File (SDF/MOL File) of Normelicopicine
The structure data file (SDF/MOL File) of Normelicopicine is available for download in the SDF page of Normelicopicine providing the information about the atoms, bonds, connectivity and coordinates of Normelicopicine, which is not completely available in the chemical formula representation. The Normelicopicine structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Normelicopicine
The chemical structure image of Normelicopicine is available in chemical structure page of Normelicopicine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Normelicopicine and the chemical bonds that hold the atoms together.
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Molecular weight of Normelicopicine
The molecular weight of Normelicopicine is available in molecular weight page of Normelicopicine, 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 Normelicopicine.
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InChI (IUPAC International Chemical Identifier) information of Normelicopicine
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Normelicopicine is:
InChI=1S/C17H17NO5/c1-18-10-8-6-5-7-9(10)13(19)11-12(18)15(21-2)17(23-4)16(22-3)14(11)20/h5-8,20H,1-4H3
It can provide a standard way to encode the molecular information of Normelicopicine 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 Normelicopicine is:
InChIKey=UGEKWKMLXLFVIY-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Normelicopicine, but it needs to be linked to the full InChI to get back to the original structure of the Normelicopicine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Normelicopicine
The Normelicopicine compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Normelicopicine including the registry numbers is given below, if available:
- 1-Hydroxy-2,3,4-trimethoxy-10-methyl-9(10H)-acridinone #
- 1-Hydroxy-2,3,4-trimethoxy-10-methyl-9 -acridinone
- 1-hydroxy-2,3,4-trimethoxy-10-methylacridin-9-one
- 9(10H)-Acridinone, 1-hydroxy-2,3,4-trimethoxy-10-methyl-
- 9-Acridanone, 1-hydroxy-2,3,4-trimethoxy-10-methyl-
- O-Normelicopicine
- 7008-68-6
- Normelicopicine
Normelicopicine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Normelicopicine? |
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C17H17NO5 |
How many atoms and what are they in the Normelicopicine structure? |
40 atom(s) - 17 Hydrogen atom(s), 17 Carbon atom(s), 1 Nitrogen atom(s), and 5 Oxygen atom(s) |
How many chemical bonds and what are they in the Normelicopicine structure? |
42 bond(s) - 25 non-H bond(s), 13 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 2 ten-membered ring(s), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aromatic), 1 aromatic hydroxyl(s), and 3 ether(s) (aromatic) |
What’s the molecular weight of Normelicopicine? |
315.32058 g/mol |
What’s the SMILES string of Normelicopicine? |
COc3c(OC)c(OC)c2n(C)c1ccccc1c(=O)c2c3O |
What’s the InChI of Normelicopicine? |
InChI=1S/C17H17NO5/c1-18-10-8-6-5-7-9(10)13(19)11-12(18)15(21-2)17(23-4)16(22-3)14(11)20/h5-8,20H,1-4H3 |
What’s the InChIKey of Normelicopicine? |
UGEKWKMLXLFVIY-UHFFFAOYSA-N |
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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).