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10246-75-0

Basic Information
CAS No.: 10246-75-0
Name: HYDROXYZINE PAMOATE
Molecular Structure:
Molecular Structure of 10246-75-0 (HYDROXYZINE PAMOATE)
Formula: C44H43ClN2O8
Molecular Weight: 763.27
Synonyms: Hydroxyzine pamoate;Masmoran;Vistaril pamoate (TN);Vistaril;Atarax-P (TN);Atarax P;Atarax-P;Hydroxyzine pamoate (JP14/USP);Vistaril pamoate;2-Naphthalenecarboxylic acid,4,4'-methylenebis[3-hydroxy-,compd. with 2-[2-[4-[(4-chlorophenyl)phenylmethyl]- 1-piperazinyl]ethoxy]ethanol (1:1);
EINECS: 233-582-1
Density: 1.182g/cm3
Boiling Point: 642.7 °C at 760 mmHg
Flash Point: 356.5 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 36
PSA: 151.00000
LogP: 7.32310
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Specification

The 4-[(3-Carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanol, with the CAS registry number 10246-75-0, is also known as Hydroxyzine pamoate.  Its EINECS registry number is 233-582-1. This chemical's molecular formula is C44H43ClN2O8 and molecular weight is 763.27. What's more, its IUPAC name is 4-[(3-Carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid. This chemical's classification code is Tranquilizer [Minor]. In addition, this chemical may cause damage to health. During using it, wear suitable protective clothing. Besides, this chemical is harmful if swallowed

Physical properties about 4-[(3-Carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanol are: (1)ACD/LogP: 6.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 2.85; (6)ACD/BCF (pH 7.4): 2.81; (7)ACD/KOC (pH 5.5): 4.9; (8)ACD/KOC (pH 7.4): 4.82; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 71.06 Å2; (13)Flash Point: 356.5 °C; (14)Enthalpy of Vaporization: 99.68 kJ/mol; (15)Boiling Point: 642.7 °C at 760 mmHg; (16)Vapour Pressure: 2.13E-17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2cc1c(cccc1)c(c2O)Cc3c4c(cc(C(=O)O)c3O)cccc4.Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCCO
(2) InChI: InChI=1/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
(3) InChIKey: ASDOKGIIKXGMNB-UHFFFAOYAF