Morantel

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Morantel are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Morantel?

The molecule Morantel presents a molecular formula of C12H16N2S and its IUPAC name is 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine.

Morantel is a synthetic molecule that belongs to a class of compounds known as nicotinic agonists. It is used to treat a variety of parasitic infections, including those caused by worms and tapeworms..

Morantel works by activating nicotinic acetylcholine receptors in the body. These receptors are found in the muscles of worms and tapeworms and play a critical role in their movement and survival. By activating these receptors, morantel can cause the muscles of the worms and tapeworms to contract and ultimately lead to their death..

Morantel is usually administered orally in the form of a tablet or suspension and is typically given once or twice a day. It is generally well-tolerated, but it can cause side effects in some individuals, including stomach pain, nausea, and diarrhea. It is important to follow the guidance of a healthcare provider when using morantel and to report any side effects..

Summary

From all the above, morantel is a synthetic molecule that is used to treat parasitic infections, including those caused by worms and tapeworms. It is important to follow the guidance of a healthcare provider when using morantel and to report any side effects..

3D structure

Cartesian coordinates

Geometry of Morantel in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Morantel NVEPPWDVLBMNMB-SNAWJCMRSA-N chemical compound 2D structure molecule svg
Morantel

 

Molecule descriptors

 
IUPAC name1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
InChI codeInChI=1S/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3/b5-4+
InChI KeyNVEPPWDVLBMNMB-SNAWJCMRSA-N
SMILESCc1ccsc1/C=C/C1=NCCCN1C

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • (E)-1,4,5,6-TETRAHYDRO-1-METHYL-2-(2-(3-METHYL-2-THIENYL)VINYL)PYRIMIDINE
  • (E)-1,4,5,6-Tetrahydro-1-methyl-2-(2-(3-methyl-2-thienyl)ethenyl)pyrimidine
  • (E)-1,4,5,6-Tetrahydro-1-methyl-2-(2-(3-methyl-2-thienyl)vinyl)pyrimidin
  • (E)-1-methyl-2-(2-(3-methylthiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine
  • 1-Methyl-2-[(E)-2-(3-methyl-2-thienyl)ethenyl]-1,4,5,6-tetrahydropyrimidine
  • 1-Methyl-2-[2-(3-methyl-2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidine
  • 1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]-5,6-dihydro-4H-pyrimidine;tartaric acid
  • 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
  • 2,3-bis(oxidanyl)butanedioic acid;1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
  • 2,3-dihydroxybutanedioic acid;1-methyl-2-[(E)-2-(3-methyl-2-thiophenyl)ethenyl]-5,6-dihydro-4H-pyrimidine
  • 20574-50-9
  • 20574-50-9 (free base)
  • 7NJ031HAX5
  • AB00053685_12
  • BDBM62879
  • BSPBio_002611
  • D08230
  • IDI1_000866
  • Morantel
  • Morantel (BAN)
  • Morantelum
  • NCGC00178575-01
  • NCGC00178575-02
  • Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-(2-(3-methyl-2-thienyl)ethenyl)-, (E)-
  • Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(E)-2-(3-methyl-2-thienyl)ethenyl]-
  • Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(3-methyl-2-thienyl)ethenyl]-, (E)-
  • Q27268618
  • SBI-0051865.P002
  • UK 2964-18
  • cid_6419965
  • morantel
  • trans-1,4,5,6-Tetrahydro-1-methyl-2-(2-(3-methyl-2-thienyl)vinyl)pyrimidine
  • trans-1,4,5,6-Tetrahydro-1-methyl-2-[(3-methyl-2-thienyl)vinyl]pyrimidine

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC1750
  • UNII-7NJ031HAX5
  • BRD-K74820615-045-01-9
  • DTXSID9048562
  • CHEMBL1240978
  • CHEBI:94736
  • EINECS 243-890-8
  • SCHEMBL123923
  • Spectrum5_001573

Physico-Chemical properties

IUPAC name1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
Molecular formulaC12H16N2S
Molecular weight220.334
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity75.12
LogP2.2
Topological polar surface area43.8

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.