Desloratadine Impurity 25

CAT: 1299-RM-D121825-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D121825-01Size:10 mg

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CAS Number

1346604-23-6

Synonyms

8-chloro-5,6-dihydrodispiro[benzo[5,6]cyclohepta[1,2-b]pyridine-11,2'-oxirane-3',4''-piperidine]

Molecular Formula

C19H19ClN2O

Molecular Weight

326.82

Target Alternative Name

Desloratadine

Product Name Synonym

8-chloro-5,6-dihydrodispiro[benzo[5,6]cyclohepta[1,2-b]pyridine-11,2'-oxirane-3',4''-piperidine]

Chemical Information

Desloratadine Epoxide

CAS Number	1346604-23-6
PubChem CID	71315647
Molecular Formula	C19H19ClN2O
Molecular Weight	326.8
XLogP	2.7
Topological Polar Surface Area	37.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	23
Formal Charge	0
Complexity	466

SMILES

C1CC2=C(C=CC(=C2)Cl)C3(C4=C1C=CC=N4)C5(O3)CCNCC5

InChI

InChI=1S/C19H19ClN2O/c20-15-5-6-16-14(12-15)4-3-13-2-1-9-22-17(13)19(16)18(23-19)7-10-21-11-8-18/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2

InChIKey

MDTVXCIKQZSGGH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1346604-23-6

CID: 71315647

Formula: C19H19ClN2O

MW: 326.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.8
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	326.1185909
Monoisotopic Mass	326.1185909
Topological Polar Surface Area	37.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	466
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
RM-D121818-01	Desloratadine Impurity R; Desloratadine Deschloro Impurity
RM-D121845-01	Desloratadine Impurity 45
RM-D121842-01	Desloratadine Impurity 42
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
RM-D121866-01	Desloratadine Impurity 66
RM-D121838-01	Desloratadine Impurity 38

Catalog	Name
OR1031641-01	N-Formyl Desloratadine (Desloratadine Impurity)
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