chempirical

Hydroxyzine pamoate

C44H43ClN2O8CAS 10246-75-0763.28 g/mol

Open in Covalent MOL file
OHOOHOHOHOHOONNCl
AlcoholAryl halideCarboxylic acidEtherPhenolTertiary amine

Properties

Molecular formula
C44H43ClN2O8
Molar mass
763.28 g/mol
Exact mass
762.2708 Da
logP
7.45Crippen estimate
Polar surface area
151.0 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
12

Identifiers

CAS number
10246-75-0
SMILES
O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIKey
ASDOKGIIKXGMNB-UHFFFAOYSA-N
InChI
InChI=1S/C23H16O6.C21H27ClN2O2/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;22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-9,21,25H,10-17H2

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Names and synonyms

15 names · show all
  • 2-Naphthalenecarboxylic acid, 4,4′-methylenebis[3-hydroxy-, compd. with 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]ethanol (1:1)
  • 2-Naphthoic acid, 4,4′-methylenebis[3-hydroxy-, compd. with 2-[2-[4-(p-chloro-α-phenylbenzyl)-1-piperazinyl]ethoxy]ethanol (1:1)
  • 2-Naphthoic acid, 4,4′-methylenebis[3-hydroxy-, hydroxyzine salt
  • Ethanol, 2-[2-[4-(p-chloro-α-phenylbenzyl)-1-piperazinyl]ethoxy]-, 4,4′-methylenebis[3-hydroxy-2-naphthoate] (1:1) (salt)
  • Ethanol, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, 4,4′-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (1:1)
  • Vistaril
  • 1-(p-Chloro-α-phenylbenzyl)-4-(2-hydroxyethoxyethyl)piperazine, pamoate
  • Equipose
  • Masmoran
  • Paxistil
  • Atarax P
  • Hydroxyzyne pamoate
  • Paxisitil
  • Vistaril pamoate
  • 2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)ethanol 4,4′-methylenebis(3-hydroxy-2-naphthoate)

Work with Hydroxyzine 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

(±)-Hydroxyzine68-88-261 % similar Hydroxyzine hydrochloride2192-20-358 % similar (-)-Cetirizine130018-77-852 % similar Cetirizine83881-51-052 % similar Pamoic acid130-85-850 % similar Levocetirizine dihydrochloride130018-87-050 % similar 2-[2-[4-(Diphenylmethyl)-1-piperazinyl]ethoxy]ethanol3733-63-950 % similar Cetirizine hydrochloride83881-52-150 % similar

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

Elsewhere

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