Desloratadine Impurity 21

CAT: 1596-AR-L07706-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07706-01Size:10 Units

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CAS Number

165739-63-9

Molecular Formula

C20H19ClN2O

Molecular Weight

338.84

API Name

Loratadine

Chemical Information

3-Methoxy Desloratadine

CAS Number	165739-63-9
PubChem CID	18382724
IUPAC Name	13-chloro-6-methoxy-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Molecular Formula	C20H21ClN2O
Molecular Weight	340.8
XLogP	4.5
Topological Polar Surface Area	34.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	24
Formal Charge	0
Complexity	472

SMILES

COC1=CC2=C(C(=C3CCNCC3)C4=C(CC2)C=C(C=C4)Cl)N=C1

InChI

InChI=1S/C20H21ClN2O/c1-24-17-11-15-3-2-14-10-16(21)4-5-18(14)19(20(15)23-12-17)13-6-8-22-9-7-13/h4-5,10-12,22H,2-3,6-9H2,1H3

InChIKey

ARUFAUXFQSCDIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 165739-63-9

CID: 18382724

Formula: C20H21ClN2O

MW: 340.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.8
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	340.1342410
Monoisotopic Mass	340.1342410
Topological Polar Surface Area	34.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	472
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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-L01879-01	Desloratadine Impurity B
AR-L07719-01	Desloratadine Impurity 11
AR-L07720-01	Desloratadine Impurity 12
AR-L01863-01	Desloratadine Impurity 3
AR-L07732-01	Desloratadine Impurity 17
AR-L07707-01	Desloratadine Dihydro Impurity
AR-L01862-01	Desloratadine Impurity 2
AR-L07731-01	Desloratadine Impurity 16
AR-L07721-01	Desloratadine Impurity 13
AR-L14217-01	Desloratadine EP Impurity A

Catalog	Name
RM-D121818-01	Desloratadine Impurity R; Desloratadine Deschloro Impurity
OR1031641-01	N-Formyl Desloratadine (Desloratadine Impurity)
RM-D121845-01	Desloratadine Impurity 45
RM-D121842-01	Desloratadine Impurity 42
RM-D121825-01	Desloratadine Impurity 25
RM-D121862-01	Desloratadine Impurity 62
RM-D121839-01	Desloratadine Impurity 39
RM-D121863-01	Desloratadine Impurity 63
RM-D121864-01	Desloratadine Impurity 64
RM-D121871-01	Desloratadine Impurity 71