(R) -Cetirizine

CAT: 1596-AR-C05385-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C05385-01Size:50 Units

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CAS Number

130018-77-8

Synonyms

2-[2-[4-[ (R) - (4-Chlorophenyl) phenylmethyl]-1-piperazinyl]ethoxy]acetic Acid; (-) -Cetirizine; Levocetirizine

Molecular Formula

C21H25ClN2O3

Molecular Weight

388.9

API Name

Cetirizine

Chemical Information

Levocetirizine

2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]acetic acid is a diarylmethane.

CAS Number	130018-77-8
PubChem CID	1549000
IUPAC Name	2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
Molecular Formula	C21H25ClN2O3
Molecular Weight	388.9
XLogP	1.7
Topological Polar Surface Area	53
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	443

SMILES

C1CN(CCN1CCOCC(=O)O)[C@H](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)/t21-/m1/s1

InChIKey

ZKLPARSLTMPFCP-OAQYLSRUSA-N

Chemical Structure

2D Structure

CAS: 130018-77-8

CID: 1549000

Formula: C21H25ClN2O3

MW: 388.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.9
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	388.1553704
Monoisotopic Mass	388.1553704
Topological Polar Surface Area	53 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	443
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C04091-01	Cetirizine
AR-C05467-01	Cetirizine EP Impurity B (R Isomer) HCl salt
AR-C02321-01	Cetirizine DiHCl
AR-C02290-01	Cetirizine-d4
AR-C05259-01	(S) -Cetirizine
AR-C02346-01	Cetirizine Impurity 12 ((S) -Cetirizine Propanediol Ester)
AR-C07042-01	Cetirizine Impurity 16 DiHCl (Mixture of Cetirizine Impurity 12 DiHCl and Cetirizine Impurity 14 DiHCl)
AR-C07043-01	Cetirizine Impurity 17 HCl (Mixture of Cetirizine Impurity 9 HCl and Cetirizine Impurity 10 HCl)
AR-C02303-01	Cetirizine Amide Dihydrochloride
AR-C07028-01	Cetirizine Impurity 34

Catalog	Name
MBS3606107	Cetirizine
CS-O-03058	Cetirizine-d8
269152-01	Cetirizine hydrochloride
MBS385321-01	Cetirizine Dihydrochloride
RG-C081274-01	Cetirizine Impurity A
RM-C201839-01	Cetirizine-D4
sc-211056	Cetirizine Amide
MBS5766327	Cetirizine D8
C07689-200mg	Cetirizine DiHCl
T10769-01	Cetirizine D4