Morantel Tartrate

Synopsis, Chemistry

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Also known as: Morantel tartrate salt, 26155-31-7, Mls000069820, 26155-31-7 (tartrate), Smr000058831, Suiminth

Molecular Formula

C₁₆H₂₂N₂O₆S

Molecular Weight

370.4 g/mol

InChI Key

GGXQONWGCAQGNA-FXRZFVDSSA-N

Antinematodal agent used mainly for livestock.

1 2D Structure

Morantel Tartrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydroxybutanedioic acid;1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine

2.1.2 InChI

InChI=1S/C12H16N2S.C4H6O6/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;5-1(3(7)8)2(6)4(9)10/h4-6,9H,3,7-8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/b5-4+;

2.1.3 InChI Key

GGXQONWGCAQGNA-FXRZFVDSSA-N

2.1.4 Canonical SMILES

CC1=C(SC=C1)C=CC2=NCCCN2C.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

CC1=C(SC=C1)/C=C/C2=NCCCN2C.C(C(C(=O)O)O)(C(=O)O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Morantel

2. Paratect

3. Tartrate, Morantel

2.2.2 Depositor-Supplied Synonyms

1. Morantel Tartrate Salt

2. 26155-31-7

3. Mls000069820

4. 26155-31-7 (tartrate)

5. Smr000058831

6. Suiminth

7. (e)-1-methyl-2-(2-(3-methylthiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine 2,3-dihydroxysuccinate

8. Morantel (tartrate)

9. Morantel (+)-tartrate Salt

10. Nsc-758647

11. Prestwick_508

12. Cp-12009-18

13. Cp-12-009-18

14. Opera_id_226

15. Prestwick2_000061

16. Prestwick3_000061

17. Bspbio_000241

18. Mls001148663

19. Schembl117920

20. Bpbio1_000267

21. Chembl1445794

22. Amy3560

23. Ex-a929

24. Hms1568m03

25. Hms2095m03

26. Hms2234o05

27. Hms3712m03

28. Bba15531

29. Mfcd00079449

30. Ccg-220061

31. Ac-32488

32. 155m317

33. J-016285

34. Sr-01000721901-4

2.3 Create Date

2006-04-14

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₂N₂O₆S
Molecular Weight	370.4 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	370.11985760 g/mol
Monoisotopic Mass	370.11985760 g/mol
Topological Polar Surface Area	159 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antinematodal Agents

Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice. (See all compounds classified as Antinematodal Agents.)

Anthelmintics

Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal. (See all compounds classified as Anthelmintics.)