Desloratadine Dihydro Impurity

CAT: 1596-AR-L07707-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07707-01Size:10 Units

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CAS Number

119770-61-5

Synonyms

8-Chloro-11- (1-methylpiperidin-4-yl) -11H-benzo[5,6]cyclohepta[1,2-b]pyridine

Molecular Formula

C20H21ClN2

Molecular Weight

324.85

API Name

Loratadine

Chemical Information

13-Chloro-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

CAS Number	119770-61-5
PubChem CID	18715407
IUPAC Name	13-chloro-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
Molecular Formula	C20H21ClN2
Molecular Weight	324.8
XLogP	4.5
Topological Polar Surface Area	16.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	429

SMILES

CN1CCC(CC1)C2C3=C(C=CC4=C2N=CC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-7,10,13-14,19H,8-9,11-12H2,1H3

InChIKey

XEMDMASUIPFLDP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119770-61-5

CID: 18715407

Formula: C20H21ClN2

MW: 324.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.8
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	324.1393264
Monoisotopic Mass	324.1393264
Topological Polar Surface Area	16.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	429
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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-L01901-01	11-Hydroxy Dihydro Desloratadine
AR-L01863-01	Desloratadine Impurity 3
AR-L07732-01	Desloratadine Impurity 17
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-D121810-01	Desloratadine Dihydro Impurity
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