chempirical

Pyrantel pamoate

C34H30N2O6SCAS 22204-24-6594.68 g/mol

Open in Covalent MOL file
NNSOHOOHOHOHO
AlkeneAmidineCarboxylic acidPhenol

Properties

Molecular formula
C34H30N2O6S
Molar mass
594.68 g/mol
Exact mass
594.1825 Da
logP
6.89Crippen estimate
Polar surface area
130.7 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
22204-24-6
SMILES
CN1CCCN=C1/C=C/c1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
InChIKey
AQXXZDYPVDOQEE-MXDQRGINSA-N
InChI
InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+

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

Names and synonyms

16 names · show all
  • 2-Naphthalenecarboxylic acid, 4,4′-methylenebis[3-hydroxy-, compd. with 1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]pyrimidine (1:1)
  • 2-Naphthoic acid, 4,4′-methylenebis[3-hydroxy-, compd. with (E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine (1:1)
  • 2-Naphthalenecarboxylic acid, 4,4′-methylenebis[3-hydroxy-, compd. with (E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)ethenyl]pyrimidine (1:1)
  • Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)ethenyl]-, (E)-, 4,4′-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (1:1)
  • Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]-, 4,4′-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (1:1)
  • Combantrin
  • Pyrantel embonate
  • Embovin
  • CP 10423-16
  • Early bird
  • Cobantril
  • Piranver
  • Antiminth
  • Helmintox
  • Helmex
  • Nemocid

Work with Pyrantel pamoate

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

Similar compounds

Oxantel pamoate68813-55-873 % similar Pyrantel15686-83-658 % similar Pamoic acid130-85-852 % similar Hydroxyzine pamoate10246-75-037 % similar Disodium pamoate6640-22-836 % similar 3-(2-Thienyl)-2-propenoic acid1124-65-832 % similar (2E)-3-(2-Thienyl)-2-propenoic acid15690-25-232 % similar 1-Hydroxy-2-naphthoic acid86-48-631 % similar

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

Elsewhere

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