chempirical

Oxantel pamoate

C36H32N2O7CAS 68813-55-8604.66 g/mol

Open in Covalent MOL file
NNHOOHOOHOHOHO
AlkeneAmidineCarboxylic acidPhenol

Properties

Molecular formula
C36H32N2O7
Molar mass
604.66 g/mol
Exact mass
604.2210 Da
logP
6.53Crippen estimate
Polar surface area
150.9 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
68813-55-8
SMILES
CN1CCCN=C1/C=C/c1cccc(O)c1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
InChIKey
CCOAINFUFGBHBA-UETGHTDLSA-N
InChI
InChI=1S/C23H16O6.C13H16N2O/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;1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-7,10,16H,3,8-9H2,1H3/b;7-6+

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

Names and synonyms

8 names
  • 2-Naphthalenecarboxylic acid, 4,4′-methylenebis[3-hydroxy-, compd. with 3-[(1E)-2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]phenol (1:1)
  • 2-Naphthalenecarboxylic acid, 4,4′-methylenebis[3-hydroxy-, compd. with (E)-3-[2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]phenol (1:1)
  • Phenol, 3-[2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]-, (E)-, 4,4′-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (1:1) (salt)
  • Phenol, 3-[(1E)-2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl]-, 4,4′-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (1:1) (salt)
  • Oxantel ebonate
  • Telopar
  • CP 14445-16
  • Oxantel embonate

Work with Oxantel 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

Pyrantel pamoate22204-24-673 % similar Pamoic acid130-85-852 % similar Hydroxyzine pamoate10246-75-038 % similar Pyrantel15686-83-636 % similar Disodium pamoate6640-22-836 % similar trans-3-Hydroxycinnamic acid14755-02-335 % similar M-Coumaric acid588-30-735 % similar 6-Hydroxy-1-naphthoic acid2437-17-434 % similar

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

Elsewhere

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