chempirical

Pyrantel tartrate

C15H20N2O6SCAS 33401-94-4356.39 g/mol

Open in Covalent MOL file
NNSOOHOHOHOOH
AlcoholAlkeneAmidineCarboxylic acid

Properties

Molecular formula
C15H20N2O6S
Molar mass
356.39 g/mol
Exact mass
356.1042 Da
Melting point
148–150 °C
logP
0.37Crippen estimate
Polar surface area
130.7 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
5
Stereocentres
R, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
33401-94-4
SMILES
CN1CCCN=C1/C=C/C2=CC=CS2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChIKey
VWRCYAZJKNPEQR-NIEARKAZSA-N
InChI
InChI=1S/C11H14N2S.C4H6O6/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;5-1(3(7)8)2(6)4(9)10/h2,4-6,9H,3,7-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/b6-5+;/t;1-,2-/m.1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
  • Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]-, (E)-, tartrate (1:1)
  • Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)ethenyl]-, (E)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)
  • CP 10423-18
  • trans-1-Methyl-1,4,5,6-tetrahydro-2-[2-(thienyl)vinyl]pyrimidine tartrate
  • 1,4,5,6-Tetrahydro-1-methyl-2-[trans-2-(2-thienyl)vinyl]pyrimidine tartrate (1:1)
  • Banminth
  • Pyrequan tartrate
  • Strongid C
  • Strongid

Work with Pyrantel tartrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined Pyrantel15686-83-6Free base Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt Choline bitartrate87-67-2Salt N,N-Dimethylethanolamine bitartrate5988-51-2Salt Potassium tartrate921-53-9Salt (-)-Epinephrine (+)-bitartrate51-42-3Salt

Similar compounds

3-(2-Thienyl)-2-propenoic acid1124-65-840 % similar 3-(2-Thienyl)acrylic acid15690-25-240 % similar Oxantel pamoate68813-55-839 % similar 4-(2-Thienyl)-3-buten-2-one874-83-938 % similar 1-(4-Methylphenyl)-3-(2-thienyl)-2-propen-1-one6028-89-334 % similar (αS)-Tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic acid192725-50-132 % similar 2-Thienylalanine2021-58-131 % similar L-2-Thienylalanine22951-96-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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