AG004RU9

83881-52-1 | 2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride

AG004RU9

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CAS Number	83881-52-1
Catalog Number	AG004RU9(AGN-PC-00FH5X)
Chemical Name	2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride
IUPAC Name	2-[2-[4-[(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
InChI Key	PGLIUCLTXOYQMV-UHFFFAOYSA-N
MDL Number	MFCD00941428
Molecular Formula	C21H27Cl3N2O3
Molecular Weight	461.8097
SMILES	OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1.Cl.Cl
Synonyms	(2-(4-((4-Chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)acetic Acid, Alerlisin, Cetalerg, Ceterifug, Ceti TAD, Ceti-Puren, Cetiderm, Cetidura, Cetil von ct, CetiLich, Cetirigamma, Cetirizin AL, Cetirizin AZU, Cetirizin Basics, Cetirizine, Cetirizine Dihydrochloride, Cetirlan, Dihydrochloride, Cetirizine, P 071, P-071, P071, Reactine, Virlix, Voltric, Zetir, Zirtek, Zyrtec, Cetirizine dihydrochloride, 83881-52-1, Zyrtec, Reactine, CETIRIZINE HYDROCHLORIDE, Cetirizine diHCl, 2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride, Alerlisin, Alercet, Alergex, Alertisin, Cetriler, Cetrine, Cetzine, Formistin, Ressital, Salvalerg, Setiral, Stopaler, Zyrzine, Alerid, Riztec, Virdos, Zirtin, Cezin, Ryzen, Triz, Cetirizine HCl, Xero-sed, Children's Zyrtec, P 071, P-071, Cetirizine (dihydrochloride), UCB-P 071, Zyrtec-D, Zerviate, Cetirigamma, Cetalerg, Ceterifug, Cetiderm, Cetidura, Cetirlan, Voltric, Zetir, CetiLich, Cetirizin Basics, Ceti-Puren, Cetil von ct, Cetirizin AZU, (+-)-(2-(4-(p-Chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)acetic acid, dihydrochloride, (2-(4-((4-Chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)acetic acid dihydrochloride, DSSTox_CID_24268, DSSTox_RID_80138, DSSTox_GSID_44268, Ceti TAD, C21H27Cl3N2O3, Alleroff, Allergy relief, Apo-Cetirizine, Zyrtec Allergy, [2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic acid dihydrochloride, Acetic acid, (2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, dihydrochloride, (+-)-, Zyrtec Hives Relief, MFCD00941428, Topcare all day allergy, Sun mark all day allergy, C21H25ClN2O3.2HCl, Children's Zyrtec Allergy, Cetirizine Hydrochloride Hives, Cetirizine Di, Children's Zyrtec Hives Relief, SR-01000688282, Cetirizine Hydrochloride Allergy, Cetirizine hydrochloride [USAN], 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride, Up and up all day allergy relief, AK176131, Prestwick_841, Cetirizine hydrochloride [USAN:USP], Zyrtec (TN), cetirizinedihydrochloride, 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetic acid dihydrichloride, cetirizine-dihydrochloride, Children's Cetirizine hydrochloride allergy, AC1L1IJL, NCGC00016949-01, CAS-83881-52-1, Children's Cetirizine hydrochloride hives relief, SCHEMBL41107, SPECTRUM1505371, CHEBI:3562, UCB P071, CHEMBL1607273, DTXSID2044268, CTK8C2999, PGLIUCLTXOYQMV-UHFFFAOYSA-N, HMS1569F07, HMS1922H04, (R)-2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride, BCP09018, KS-000015AD, Tox21_110704, Tox21_302261, Tox21_500362, ANW-69482, BG0436, CC0256, HY-17042A, s1291, AKOS000280979, AKOS016340521, Tox21_110704_1, AC-1600, API0001938, CCG-213404, Cetirizine hydrochloride (JP17/USAN), CS-1798, KS-1042, LP00362, RTR-026026, NCGC00095180-01, NCGC00095180-02, NCGC00255965-01, NCGC00261047-01, NCGC00263567-01, AK108356, AN-14770, LS-11411, ST077146, AB0008484, AB1009381, AX8022801, Cetirizine dihydrochloride, >=98% (HPLC), FT-0603000, ST24039138, SW196972-3, Cetirizin dihydrochloride, >=98.0% (HPLC), D00664, J10151, 881C510, A840675, I06-0389, SR-01000688282-3, Cetirizine Dihydrochloride 1.0 mg/ml in Water (as free base), Cetirizine dihydrochloride, European Pharmacopoeia (EP) Reference Standard, Cetirizine hydrochloride, British Pharmacopoeia (BP) Reference Standard, (RS)-{2-[4-(alpha-phenyl-p-chlorobenzyl)-piperazin-1-yl]ethoxy}-acetic acid dihydrochloride, [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]aceticaciddihydrochloride, 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetic acid dihydrochloride, 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanoic acid dihydrochloride, 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]acetic acid dihydrochloride, 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid dihydrochloride, Acetic acid, (2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, dihydrochloride, Cetirizine dihydrochloride, United States Pharmacopeia (USP) Reference Standard, Cetirizine for peak identification, European Pharmacopoeia (EP) Reference Standard, Cetirizine Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material, (+) {2-[4-(alpha-phenyl-p-chlorobenzyl)-piperazine-1-yl] -ethoxy}-acetic acid dihydrochloride, (+/-)-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl] ethoxy]acetic acid, dihydrochloride, (+/-){2-[4-(alpha-phenyl-p-chlorobenzyl)-piperazin-1-yl]-ethoxy}-acetic acid dihydrochloride, (RS)-{2-[4-(alpha-phenyl-p-chlorobenzyl)-piperazin-1-yl]ethoxy }-acetic acid dihydrochloride, Cetirizine dihydrochloride solution, 1.0 mg/mL in acetonitrile: water (9:1) (as free base), ampule of 1 mL, certified reference material, Virlix, cetirizine, Zirtek, Cetirizin AL, Levocetirizine dihydrochloride, OX-NLA, UNII-64O047KTOA, Dihydrochloride, Cetirizine, ZYRTEC-D 12 HOUR, C21H25ClN2O3.2ClH, (R)-Cetirizine dihydrochloride, (S)-Cetirizine Dihydrochloride, 64O047KTOA, CID55182, AC-170, ACN-039950, C21-H25-Cl-N2-O3.2Cl-H, CS-O-01088, P071, 83881-52-1 (HCl), C2316, D017332, 130018-87-0, 83881-51-0, (2-(4-((4-Chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)acetic acid, Acetic acid, (2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, 130018-77-8, 163837-48-7,

Complexity	443
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number