Marvin  04291013112D          

 20 21  0  0  0  0            999 V2000
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    1.3404    2.5929    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
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 18 20  1  0  0  0  0
M  END
> <ID>
CHEBI:3398

> <NAME>
carbinoxamine

> <DEFINITION>
An organochlorine compound that is 2-(4-chlorobenzyl)pyridine in which one of the benzylic hydrogens is substituted by 2-(dimethylamino)ethoxy group. It is an ethanolamine-type antihistamine, used as its maleate salt for treating hay fever, as well as mild cases of Parkinson's disease.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:166273

> <SYNONYM>
{2-[(4-Chloro-phenyl)-pyridin-2-yl-methoxy]-ethyl}-dimethyl-amine; paracarbinoxamine; carbinoxamine base; Carbinoxamine; 2-(p-chloro-alpha-(2-(dimethylamino)ethoxy)benzyl)pyridine; (+-)-carbinoxamine

> <IUPAC_NAME>
2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]-N,N-dimethylethanamine

> <INN>
carbinoxaminum; carbinoxamine; carbinoxamine; carbinoxamina

> <FORMULA>
C16H19ClN2O

> <MASS>
290.78800

> <MONOISOTOPIC_MASS>
290.11859

> <CHARGE>
0

> <SMILES>
CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1

> <INCHI>
InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3

> <INCHIKEY>
OJFSXZCBGQGRNV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
486-16-8

> <REAXYS_REGISTRY_NUMBER>
250475

> <CHEMIDPLUS>
486-16-8

> <DRUGBANK_ACCESSION>
DB00748

> <KEGG_COMPOUND_ACCESSION>
C06871

> <KEGG_DRUG_ACCESSION>
D07617

> <LINCS_ACCESSION>
LSM-1435

> <NIST_CHEMISTRY_WEBBOOK>
486-16-8

> <WIKIPEDIA_ACCESSION>
Carbinoxamine

> <PUBMED_CITATION>
6094812

$$$$