1. Primary Information
| English name: | Levocetirizine Dihydrochloride |
| CAS No.: | 130018-87-0 |
| Molecular formula: | C21H27Cl3N2O3 |
| Molecular weight: | 461.8 g/mol |
| SMILES: | C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl |
| Structural class: | |
| Other identifiers: |
(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 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 480 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 48 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 102 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 304 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 98% | 760 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride
4.2 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
4.3 InChIKey
PGLIUCLTXOYQMV-GHVWMZMZSA-N
4.4 Canonical SMILES
C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
4.5 Isomeric SMILES
C1CN(CCN1CCOCC(=O)O)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
