Drug Information

General Information
Drug ID
DR00177
Drug Name
Cetirizine
Synonyms
(2-(4-((4-Chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)acetic acid; (2-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-ethoxy)-acetic acid; (2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid; 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid; 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid; Cetiderm; Cetiderm (TN); Cetirizin; Cetirizina; Cetirizina [Spanish]; Cetirizine (INN); Cetirizine [INN:BAN]; Cetirizinum; Cetirizinum [Latin]; Cetrizine Hcl; Cetryn; Hitrizin Film Tablet; P-071; Reactine (TN); Setir; Virlix; Ziptek; Zirtek; Zyrlex; Zyrtec (TN); [(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethyl)oxy]acetic acid
Drug Type
Small molecular drug
Indication Allergic rhinitis [ICD11:CA08.0] Approved [1]
Therapeutic Class
Antiallergic Agents
Structure
3D MOL 2D MOL
Formula
C21H25ClN2O3
Canonical SMILES
C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H25ClN2O3/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)
InChIKey
ZKLPARSLTMPFCP-UHFFFAOYSA-N
CAS Number
CAS 83881-51-0
Pharmaceutical Properties Molecular Weight 388.9 Topological Polar Surface Area 53
Heavy Atom Count 27 Rotatable Bond Count 8
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
XLogP
1.7
PubChem CID
2678
PubChem SID
103266652 ,104170194 ,104301286 ,108136263 ,11466531 ,11467651 ,11486082 ,11501857 ,117611598 ,117843325 ,121362416 ,124526347 ,125324646 ,125339821 ,125544920 ,125822846 ,126525325 ,126582564 ,126619301 ,14756386 ,29221835 ,46508368 ,47359454 ,47583265 ,47953980 ,48179259 ,48403972 ,48415747 ,49698526 ,49846704 ,49861380 ,50112918 ,50112919 ,50112920 ,50276923 ,51091966 ,5658851 ,57321395 ,57581408 ,7978899 ,81041207 ,8151737 ,85209379 ,853774 ,85788875 ,90341832 ,92290962 ,92721266 ,93624540 ,9980
ChEBI ID
ChEBI:3561
TTD Drug ID
D0DK8V
DT(s) Transporting This Drug P-GP Transporter Info P-glycoprotein 1 Substrate [2]
References
1 Cetirizine was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Stereoselective and multiple carrier-mediated transport of cetirizine across Caco-2 cell monolayers with potential drug interaction. Chirality. 2010 Jul;22(7):684-92.

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