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Cetirizine Methyl Ester - 95%, high purity , CAS No.83881-46-3

COA

Grade & Purity:

≥95%

Cas Number: 83881-46-3
Molecular Weight: 402.91
PubChem CID: 608480
PubChem SID: 488190701

In stock

Item Number

C352123

Grouped product items
SKU	Size	Availability	Price
C352123-5mg	5mg	4	$209.90
C352123-25mg	25mg	4	$940.90
C352123-100mg	100mg	2	$3,385.90
C352123-500mg	500mg	2	$15,236.90

a 2ndgeneration H1 receptor antagonist

View related series

Class A GPCR (4138)

Basic Description

Synonyms	F81804 \| Q27257260 \| 3IBM2U5K9C \| FT-0664496 \| (+/-)-Cetirizine methyl ester \| methyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate \| Cetirizine Methyl Ester \| UNII-3IBM2U5K9C \| HY-12966 \| Methyl (2-(4-[(4-chlorophenyl)(phenyl)methy
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Cetirizine Methyl Ester is a second generation modified oxidative metabolite of hydroxyzine histamine H1 receptor antagonist. As a second generation anti-histamine it binds with greater strength to the H1 receptor than the first generation and has been documented to have reduced brain penetration along with decreased binding to dopamine, serotonin, α-adrenergic, and calcium channel receptors.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	N-alkylpiperazines Chlorobenzenes Aralkylamines Aryl chlorides Methyl esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylmethane - Chlorobenzene - Aralkylamine - N-alkylpiperazine - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organooxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488190701
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190701
IUPAC Name	methyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
INCHI	InChI=1S/C22H27ClN2O3/c1-27-21(26)17-28-16-15-24-11-13-25(14-12-24)22(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10,22H,11-17H2,1H3
InChIKey	BYCHNMFDSQCCDD-UHFFFAOYSA-N
Smiles	COC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Isomeric SMILES	COC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Molecular Weight	402.91
Reaxy-Rn	11616305
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11616305&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
E23181079	Certificate of Analysis	Apr 08, 2023	C352123
E23181082	Certificate of Analysis	Apr 08, 2023	C352123
E23181075	Certificate of Analysis	Apr 08, 2023	C352123
E23181073	Certificate of Analysis	Apr 08, 2023	C352123
E23181087	Certificate of Analysis	Apr 08, 2023	C352123
E23181080	Certificate of Analysis	Apr 08, 2023	C352123
E23181068	Certificate of Analysis	Apr 08, 2023	C352123
E23181076	Certificate of Analysis	Apr 08, 2023	C352123

Chemical and Physical Properties

Solubility	Solubility: Soluble in Chloroform, Dichloromethane, Ethyl Acetate and Methanol
Molecular Weight	402.900 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	402.171 Da
Monoisotopic Mass	402.171 Da
Topological Polar Surface Area	42.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	457.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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