Loratadine 2-Hydroxymethyl Impurity (Usp)

CAT: 1299-RM-L182019-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L182019-01Size:10 mg

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CAS Number

609806-39-5

Synonyms

Ethyl 4-[8-chloro-5,6-dihydro-2- (hydroxy methyl) -11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-1-piperidine carboxylate

Molecular Formula

C23H25ClN2O3

Molecular Weight

412.91

Target Alternative Name

Loratadine

Product Name Synonym

Ethyl 4-[8-chloro-5,6-dihydro-2- (hydroxy methyl) -11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-1-piperidine carboxylate

Chemical Information

2-Hydroxymethyl Loratadine

2-Hydroxymethyl Loratadine is a benzocycloheptapyridine.

CAS Number	609806-39-5
PubChem CID	29981724
IUPAC Name	ethyl 4-[13-chloro-5-(hydroxymethyl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]piperidine-1-carboxylate
Molecular Formula	C23H25ClN2O3
Molecular Weight	412.9
XLogP	4.3
Topological Polar Surface Area	62.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	615

SMILES

CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=C(C=C4)CO)C=C(C=C3)Cl)CC1

InChI

InChI=1S/C23H25ClN2O3/c1-2-29-23(28)26-11-9-15(10-12-26)21-20-8-6-18(24)13-17(20)4-3-16-5-7-19(14-27)25-22(16)21/h5-8,13,27H,2-4,9-12,14H2,1H3

InChIKey

XTEULJRKHVVHLA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 609806-39-5

CID: 29981724

Formula: C23H25ClN2O3

MW: 412.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	412.9
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	412.1553704
Monoisotopic Mass	412.1553704
Topological Polar Surface Area	62.7 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	615
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
RM-L182020-01	Loratadine 4-Hydroxymethyl Impurity (Usp)
RM-L182016-01	Loratadine 2-Chloro Impurity
RM-L182013-01	Loratadine USP Related Compound D
RM-L182014-01	Loratadine USP Related Compound E
RM-L182070-01	Loratadine Impurity 70
RM-L182069-01	Loratadine Impurity 69
RM-L182057-01	Loratadine Impurity 57
RM-L182092-01	Loratadine Impurity 92
RM-L182083-01	Loratadine Impurity 83
RM-L182085-01	Loratadine Impurity 85

Catalog	Name
AR-L01895-01	Loratadine Impurity 2
AR-L07689-01	Loratadine EP Impurity D-d4 (Loratadine USP Related Compound A-d4, Rupatadine EP Impurity B-d4, Desloratadine-d4)
423502-01	[3-[2- (3-Chlorophenyl) ethyl]-2-pyridinyl] (1-methyl-4-piperidinyl) methanone (Loratadine Ketone Impurity)
TRC-C375225-25MG	[3-[2-(3-Chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)methanone (Loratadine Ketone Impurity)
009174	4,8-Dichloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one (Loratadine Impurity)
TRC-H947745-5MG	2-Hydroxymethyl Loratadine
CS-O-06123	4-Hydroxymethyl Loratadine
CS-T-93627	4-Hydroxymethyl Loratadine Hydrochloride
AR-L14220-01	Loratadine USP Related Compound D
AR-L01886-01	Loratadine EP Impurity E (Iso Loratadine)