AG000TX3

130018-87-0 | 2-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid dihydrochloride

AG000TX3

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CAS Number	130018-87-0
Catalog Number	AG000TX3(AGN-PC-0PJ4EG)
Chemical Name	2-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid dihydrochloride
IUPAC Name	2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride
InChI	InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/t21-;;/m1../s1
InChI Key	PGLIUCLTXOYQMV-GHVWMZMZSA-N
MDL Number	MFCD07366507
Molecular Formula	C21H27Cl3N2O3
Molecular Weight	461.8097
SMILES	Cl.Cl.ClC1=CC=C(C=C1)[C@H](N1CCN(CC1)CCOCC(=O)O)C1=CC=CC=C1
UNII	SOD6A38AGA
Synonyms	(2-(4-((R)-(4-chlorophenyl)phenylmethyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride, (2-(4-((R)-p-chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)acetic acid, acetic acid, (2-(4-((R)-(4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, acetic acid, (2-(4-((R)-(4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, dihydrochloride, cetirizine (R)-form dihydrochloride, levocetirizine, levocetirizine dihydrochloride, levocetirizine hydrochloride, levocetrizine, UCB-28556, Xusal, Xyzal, Levocetirizine dihydrochloride, 130018-87-0, Xusal, Levocetirizine 2HCl, Xyzal, Levocetirizine HCl, UNII-SOD6A38AGA, SOD6A38AGA, Levocetirizine dihydrochloride [USAN], (R)-Cetirizine dihydrochloride, MFCD07366507, Levocetirizine dihydrochloride (USAN), (-)-Cetirizine Dihydrochloride, (2-(4-((R)-(4-Chlorophenyl)phenylmethyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride, (-)-Cetirizine dihydrochloride; 2-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetic acid dihydrochloride, [2-[4-[(R)-(4-CHLOROPHENYL)PHENYLMETHYL]-1-PIPERAZINYL]ETHOXY]-ACETIC ACID DIHYDROCHLORIDE, Acetic acid, (2-(4-((R)-(4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, dihydrochloride, Xyzall, 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride, AK176131, Levocetirizine diHCl, Xyzal Allergy 24hr, Xyzal (TN), Levoceitrizine dihydrochloride, SCHEMBL144375, CHEMBL1201190, CTK8F2040, KS-00000XIF, Levocetirizine Hydrochloride,(S), PGLIUCLTXOYQMV-GHVWMZMZSA-N, Levocetirizine hydrochloride (JAN), (R)-2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride, BCP21544, AC-549, BG0136, UCB 28556, UCB-28556, AKOS015994681, API0000012, API0003160, KS-1177, AT-15143, BC204366, LS-186529, (R)-Cetirizine diHCl (Levocetirizine diHCl), FT-0631130, L0264, D08118, Levocetirizine dihydrochloride, >=98% (HPLC), 018L870, A806003, Levocetirizine pound>>(R)-Cetirizine (hydrochloride), UNII-64O047KTOA component PGLIUCLTXOYQMV-GHVWMZMZSA-N, [2-[4-[(R)-(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-acetic acid 2HCl, 2-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetic acid dihydrochloride, 2-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanoic acid dihydrochloride, 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]acetic acid dihydrochloride, 2-[2-[4-[(R)-(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]acetic Acid Dihydrochloride, Acetic acid, 2-[2-[4-[(R)-(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, hydrochloride (1:2), Levocetirizine, Cetirizine diHCl, (-)-Cetirizine, CETIRIZINE HYDROCHLORIDE, CL0021, ACN-039951, CID9955977, B1547, Levocetirizine Dihydrochloride, 98% - 1G 1g, 130018-77-8, 83881-52-1, 2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid hydrochloride,

Complexity	443
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	460.109g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	461.808g/mol
Monoisotopic Mass	460.109g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	53A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H400
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

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