Molecular Weight of Emapunil (C23H23N5O2)
Identification of Emapunil Chemical Compound
| Chemical Formula | C23H23N5O2 |
|---|---|
| Molecular Weight | 401.46102 g/mol |
| IUPAC Name | N-benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenyl-8,9-dihydro-7H-purin-9-yl)acetamide |
| SMILES String | CCN(Cc1ccccc1)C(=O)Cn2c(=O)n(C)c3cnc(nc23)c4ccccc4 |
| InChI | InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3 |
| InChIKey | NBMBIEOUVBHEBM-UHFFFAOYSA-N |
Molecular Weight Description
The Emapunil molecule consists of 23 Hydrogen atom(s), 23 Carbon atom(s), 5 Nitrogen atom(s), and 2 Oxygen atom(s) - a total of 53 atom(s). The molecular weight of Emapunil is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 401.46102 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- CAS #: 64-17-5
- Formula: C2H5OH
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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 Emapunil Molecule
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Structure Data File (SDF/MOL File) of Emapunil
The structure data file (SDF/MOL File) of Emapunil is available for download in the SDF page of Emapunil, which provides the information on atoms, bonds, connectivity and coordinates of Emapunil. The Emapunil structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Emapunil
The molecular structure image of Emapunil is available in chemical structure page of Emapunil, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Emapunil and the chemical bonds that hold the atoms together.
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Chemical formula of Emapunil
The molecular formula of Emapunil is given in chemical formula page of Emapunil, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Emapunil
In addition to the molecular weight information, the structural information of Emapunil in a textual expression is available via InChi. The full standard InChI of Emapunil is given below:
InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3
It can provide a way to encode the molecular information of Emapunil 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 Emapunil is:
InChIKey=NBMBIEOUVBHEBM-UHFFFAOYSA-N
It may allow easier web searches for Emapunil. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Emapunil as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Emapunil
There may be different names of the Emapunil compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- AC 5216|XBD173|N-Ethyl-7,8-dihydro-7-methyl-8-oxo-2-phenyl-N-(phenylmethyl)-9H-purine-9-acetamide
- 9H-Purine-9-acetamide,N-ethyl-7,8-dihydro-7-methyl-8-oxo-2-phenyl-N-(phenylmethyl)-
- N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(phenylmethyl)acetamide
- N-benzyl-N-ethyl-7,8-dihydro-7-methyl-8-oxo-2-phenyl-9H-purin-9-acetamide
- J-690266
- B4832
- XBD173, >=98% (HPLC)
- N-Benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl)acetamide
- BDBM50266889
- EX-A1040
- OG837L732J
- GTPL8704
- N-benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenyl-7H-purin-9(8H)-yl)acetamide
- N-benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)acetamide
- AC 5216
- XBD-173
- 226954-04-7
- Emapunil
Emapunil Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Emapunil? |
|---|
| C23H23N5O2 |
| How many atoms and what are the elements in the Emapunil molecule? |
| 53 atom(s) - 23 Hydrogen atom(s), 23 Carbon atom(s), 5 Nitrogen atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Emapunil structure? |
| 56 bond(s) - 33 non-H bond(s), 20 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 18 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 1 tertiary amide(s) (aliphatic), 1 urea (-thio) derivative(s), and 1 Pyrimidine(s) |
| What’s the molar mass of Emapunil? |
| 401.46102 g/mol |
| What’s the SMILES format of Emapunil? |
| CCN(Cc1ccccc1)C(=O)Cn2c(=O)n(C)c3cnc(nc23)c4ccccc4 |
| What’s the InChI format of Emapunil? |
| InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3 |
| What’s the InChIKey string of Emapunil? |
| NBMBIEOUVBHEBM-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).