Molecular Weight of Levallorphan (C19H25NO)
Identification of Levallorphan Chemical Compound
| Chemical Formula | C19H25NO |
|---|---|
| Molecular Weight | 283.4079 g/mol |
| IUPAC Name | (1R,9R,10R)-17-(prop-2-en-1-yl)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-ol |
| SMILES String | Oc4ccc3CC2C1CCCCC1(CCN2CC=C)c3c4 |
| InChI | InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1 |
| InChIKey | OZYUPQUCAUTOBP-QXAKKESOSA-N |
Molecular Weight Description
The levallorphan molecule consists of 25 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) - a total of 46 atom(s). The molecular weight of levallorphan is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 283.4079 · \frac{g}{mol} $$
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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Additional Information for Identifying Levallorphan Molecule
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Structure Data File (SDF/MOL File) of levallorphan
The structure data file (SDF/MOL File) of levallorphan is available for download in the SDF page of levallorphan, which provides the information on atoms, bonds, connectivity and coordinates of levallorphan. The levallorphan 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 levallorphan
The molecular structure image of levallorphan is available in chemical structure page of levallorphan, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in levallorphan and the chemical bonds that hold the atoms together.
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Chemical formula of levallorphan
The molecular formula of levallorphan is given in chemical formula page of levallorphan, 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 levallorphan
In addition to the molecular weight information, the structural information of levallorphan in a textual expression is available via InChi. The full standard InChI of levallorphan is given below:
InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
It can provide a way to encode the molecular information of levallorphan 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 levallorphan is:
InChIKey=OZYUPQUCAUTOBP-QXAKKESOSA-N
It may allow easier web searches for levallorphan. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the levallorphan as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of levallorphan
There may be different names of the levallorphan compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- L-N-Allyl-3-hydroxymorphinan
- 17-Allylmorphinan-3-ol
- (-)-3-Hydroxy-N-allylmorphinan
- 17-prop-2-en-1-ylmorphinan-3-ol
- Naloxiphan
- Ro-1-7700
- Levallorphan
- N-Allyl-3-hydroxymorphinan
- Morphinan-3-ol, 17-allyl-, (-)-
- Morphinan-3-ol, 17-allyl-
- Morphinan, 17-allyl-3-hydroxy-
- Levo-3-hydroxy-N-allyl morphinan
- Levalorfano [INN-Spanish]
- Levallorphanum [INN-Latin]
- Levallorphane [INN-French]
- Levallofano [DCIT]
Levallorphan Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of levallorphan? |
|---|
| C19H25NO |
| How many atoms and what are the elements in the levallorphan molecule? |
| 46 atom(s) - 25 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the levallorphan structure? |
| 49 bond(s) - 24 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 4 six-membered ring(s), 1 eight-membered ring(s), 3 ten-membered ring(s), 1 twelve-membered ring(s), 1 tertiary amine(s) (aliphatic), and 1 aromatic hydroxyl(s) |
| What’s the molar mass of levallorphan? |
| 283.4079 g/mol |
| What’s the SMILES format of levallorphan? |
| Oc4ccc3CC2C1CCCCC1(CCN2CC=C)c3c4 |
| What’s the InChI format of levallorphan? |
| InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1 |
| What’s the InChIKey string of levallorphan? |
| OZYUPQUCAUTOBP-QXAKKESOSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).