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Δραστική Ουσία
Active Pharmaceutical Ingredient (API)
Δραστική Ουσία Φαρμάκου
Μια ουσία που χρησιμοποιείται σε ένα τελικό φαρμακευτικό προϊόν (FPP), που προορίζεται να ασκήσει φαρμακολογική δράση ή αλλιώς, να έχει άμεση επίδραση στη διάγνωση, θεραπεία, μετριασμό, θεραπεία ή πρόληψη ασθένειας, ή να έχει άμεση επίδραση στην αποκατάσταση, διόρθωση ή τροποποίηση φυσιολογικών λειτουργιών στα ανθρώπινα όντα.
A substance used in a finished pharmaceutical product (FPP), intended to furnish pharmacological activity or to otherwise have direct effect in the diagnosis, cure, mitigation, treatment or prevention of disease, or to have direct effect in restoring, correcting or modifying physiological functions in human beings.
WHO Amendment Guidance 2023
Πατήστε εδώ, για τρισδιάστατη απεικόνιση
3D viewer Please, use your mouse to rotate (press and hold left mouse button) and zoom in and out of the structure (with mouse wheel). Mouse-over to identify atoms and bonds. Keep your mouse out of this area, in order to scroll the page.
Δισδιάστατη Απεικόνιση Μορίου
source= https://pubchem.ncbi.nlm.nih.gov
Ονομασίες - Κωδικοί
- 7018-07-7
- (+)-MAGNESIUM ASPARTATE TETRAHYDRATE
- A12CC05
- ASPARTIC ACID, L-, MAGNESIUM SALT (2:1), TETRAHYDRATE
- ASPARTIC ACID, MAGNESIUM SALT
- ASPARTIC ACID, MAGNESIUM SALT (2:1), TETRAHYDRATE
- ASPARTIC ACID, MAGNESIUM SALT (2:1), TETRAHYDRATE, L-
- DIHYDROGEN BIS(L-ASPARTATO(2-)-N,O1)MAGNESATE(2-)
- L-ASPARTIC ACID, MAGNESIUM SALT, HYDRATE (2:1:4)
- MAG@IASIS® [GR] {magnesium aspartate}
- MAGNESATE(2-), BIS(L-ASPARTATO(2-)-.KAPPA.N,.KAPPA.O1)-, DIHYDROGEN, (T-4)-
- MAGNESATE(2-), BIS(L-ASPARTATO(2-)-N,O1)-, DIHYDROGEN, (.BETA.-4)-
- MAGNESIUM ASPARTATE
- MAGNESIUM ASPARTATE TETRAHYDRATE
- MAGNESIUM@SANDOZ® [GR] {magnesium aspartate}
- R17X820ROL
- TROFOCARD MAX® [GR] {magnesium aspartate}
- TROFOCARD® [GR] {magnesium aspartate}
Ιδιότητες
There are three types of chemical formulas:
1) Empirical formula: Is the simplest ratio of all the elements in the compound.
2) Molecular formula: Shows the exact number of atoms of the elements in a molecule.
3) Structural formula: Shows not only the number of atoms, but also the chemical bonds.
Some variations of structural formula are: Condensed formula, 2D and 3D Structures.
Example:
Formulas for Glucose:
Empirical: CH2O
Molecular: C6H12O6
Condensed: H-(C=O)-(CHOH)5-H
For 2D and 3D Structure presentations, please see beside and above.
The definition of molecular weight is most authoritatively synonymous with molecular mass; however, in common practice, it is also highly variable as are the units used in conjunction with it.
Many common preparatory sources use g/mol and effectively define it as a synonym of molar mass, while more authoritative sources use Da or u and align its definition more closely with the molecular mass.
Even when the molecular weight is used with the units Da or u, it is frequently as a weighted average similar to the molar mass but with different units.
In molecular biology, the weight of macromolecules is referred to as their molecular weight and is expressed in kDa, although the numerical value is often approximate and representative of an average.
source= https://en.wikipedia.org /wiki/ Molecular _mass
The polar surface area (PSA) or topological polar surface area (TPSA) of a molecule is defined as the surface sum over all polar atoms or molecules, primarily oxygen and nitrogen, also including their attached hydrogen atoms.
PSA is a commonly used medicinal chemistry metric for the optimization of a drug's ability to permeate cells. Molecules with a polar surface area of greater than 140 angstroms squared tend to be poor at permeating cell membranes.
For molecules to penetrate the blood–brain barrier (and thus act on receptors in the central nervous system), a PSA less than 90 angstroms squared is usually needed.
source= https://en.wikipedia.org/ wiki/Polar_ surface _area
Lipinski's rule of five, also known as Pfizer's rule of five or simply the rule of five (RO5), is a rule of thumb to evaluate druglikeness or determine if a chemical compound with a certain pharmacological or biological activity has chemical properties and physical properties that would make it a likely orally active drug in humans.
Lipinski's rule states that, in general, an orally active drug has no more than one violation of the following criteria:
1) No more than 5 hydrogen bond donors (the total number of nitrogen–hydrogen and oxygen–hydrogen bonds)
2) No more than 10 hydrogen bond acceptors (all nitrogen or oxygen atoms)
3) A molecular mass less than 500 daltons
4) An octanol-water partition coefficient (log P) that does not exceed 5
Note that all numbers are multiples of five, which is the origin of the rule's name.
source= https://en.wikipedia.org/ wiki/Lipinski %27s_rule_ of_five
Ταυτότητες
UNII:
The Unique Ingredient Identifier (UNII) is a non-proprietary, free, unique, unambiguous, non-semantic, alphanumeric identifier linked to a substance's molecular structure or descriptive information and generated by the Global Substance Registration System (GSRS) of the Food and Drug Administration (FDA)
source= https://en.wikipedia.org/ wiki/Unique_ Ingredient_ Identifier
CAS RN:
A CAS Registry Number, also referred to as CASRN or CAS Number, is a unique numerical identifier assigned by the Chemical Abstracts Service (CAS) to every chemical substance described in the open scientific literature, including organic and inorganic compounds, minerals, isotopes, alloys and nonstructurable materials.
source= https://en.wikipedia.org/ wiki/CAS_ Registry_ Number
PubChem:
at the National Institutes of Health (NIH)
of the United States of America.
NCIt:
(NCI: National Cancer Institute of the United States of America)
ChEBI:
Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.
ChEMBL:
ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data).
Citations:
- AS Rose, AR Bradley, Y Valasatava, JM Duarte, A Prlić and PW Rose. Web-based molecular graphics for large complexes. ACM Proceedings of the 21st International Conference on Web3D Technology (Web3D '16): 185-186, 2016. doi:10.1145/2945292.2945324
- AS Rose and PW Hildebrand. NGL Viewer: a web application for molecular visualization. Nucl Acids Res (1 July 2015) 43 (W1): W576-W579 first published online April 29, 2015. doi:10.1093/nar/gkv402