meclizine   

GtoPdb Ligand ID: 2757

Synonyms: Antivert® | Dramamine® | Sea-Legs®
meclizine is an approved drug (FDA (1957))
Compound class: Synthetic organic
Comment: Meclizine is an antiemetic antihistamine drug.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 6.48
Molecular weight 390.19
XLogP 5.76
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C
Isomeric SMILES Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C
InChI InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
InChI Key OCJYIGYOJCODJL-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1957))
IUPAC Name
1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine
International Nonproprietary Names
INN number INN
204 meclozine
Synonyms
Antivert® | Dramamine® | Sea-Legs®
Database Links
BindingDB Ligand 81467
CAS Registry No. 569-65-3
ChEMBL Ligand CHEMBL1623
DrugBank Ligand DB00737
DrugCentral Ligand 1649
GtoPdb PubChem SID 135650575
NURSA Ligand 10.1621/OMDNLEDB3W
PubChem CID 4034
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Search UniChem for chemical match using the InChIKey OCJYIGYOJCODJL-UHFFFAOYSA-N
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Wikipedia Meclizine