Levocetirizine dihydrochloride - Moligand™,≥98% , Histamine H1 receptor antagonist, CAS No.130018-87-0, Histamine H1 receptor antagonist

CAS: 130018-87-0 Cat. No.: L124802 Peso molecular: 461.81 Número EC: 641-093-3 PubChem CID: 9955977

GRADE & PURITY Moligand™, ≥98%

Synonyms

(R)-2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride | good sense levocetirizine | LEVOCETIRIZINE HYDROCHLORIDE [JAN] | SCHEMBL1435906 | UCB 28556 | Childrens Xyzal Allergy | Levocetirizine (dihydrochloride) | Levo

Storage

Room temperature

Shipped In

Normal

Descripción general

Levocetirizine dihydrochloride is the R-enantiomer of cetirizine and is used for treating seasonal allergic rhinitis and chronic idiopathic urticaria. The liver metabolizes 14% of levocetirizine and rest is excreted in urine. The response of levocetirizine to histamine is comparatively higher to cetirizine.

Specifications

Sinónimos

(R)-2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride | good sense levocetirizine | LEVOCETIRIZINE HYDROCHLORIDE [JAN] | SCHEMBL1435906 | UCB 28556 | Childrens Xyzal Allergy | Levocetirizine (dihydrochloride) | Levo

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Levocetirizine hydrochloride is a nonsedating antihistamine. It is a histamine H1-receptor antagonist, the active isomer of cetirizine. Levocetirizine has high bioavailability, high affinity for and occupancy of the H1 receptor.Potent and selective H 1 re

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Histamine H1 receptor antagonist

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196469
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196469
• Sonrisas canónicas: C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
• IUPAC Name: 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride
• InChIKey: PGLIUCLTXOYQMV-GHVWMZMZSA-N
• 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
• Isómeros SMILES: C1CN(CCN1CCOCC(=O)O)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
• WGK Alemania: 3
• PubChem CID: 9955977
• Peso molecular: 461.81

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: N-alkylpiperazines Chlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl halide - 1,4-diazinane - Aryl chloride - Piperazine - Amino acid - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Data sources

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

Objetivos asociados (humanos)

HRH1 Tclin Histamine H1 receptor (1 Activities)

Discover Target: HRH1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HRH1 Tclin Histamine H1 receptor (7573 Activities)

Discover Target: HRH1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

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Objetivos asociados (no humanos)

Cavia porcellus (23802 Activities)

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Canis familiaris (36305 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in water: Completely soluble; Degree of Solubility in water: 946 g/l; Insoluble in Acetone
• Sensibilidad: 对湿度敏感
• Punto de fusión (°C): 214 °C
• Peso molecular: 461.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 460.109 Da
• Monoisotopic Mass: 460.109 Da
• Topological Polar Surface Area: 53.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 443.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3