Marvin  08180915212D          

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 32 37  1  0  0  0  0
M  END
> <ID>
CHEBI:5050

> <NAME>
fexofenadine

> <DEFINITION>
A piperidine-based anti-histamine compound.

> <STAR>
3

> <SYNONYM>
Terfenadine-COOH; Terfenadine carboxylate; Terfenadine acid metabolite; Fexofenadine; Carboxyterfenadine; 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid

> <FORMULA>
C32H39NO4

> <MASS>
501.65640

> <MONOISOTOPIC_MASS>
501.28791

> <CHARGE>
0

> <SMILES>
CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1

> <INCHI>
InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)

> <INCHIKEY>
RWTNPBWLLIMQHL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6832242

> <CAS_REGISTRY_NUMBER>
83799-24-0

> <CHEMIDPLUS>
83799-24-0

> <DRUGBANK_ACCESSION>
DB00950

> <KEGG_COMPOUND_ACCESSION>
C06999

> <KEGG_DRUG_ACCESSION>
D07958

> <LINCS_ACCESSION>
LSM-1770

> <WIKIPEDIA_ACCESSION>
Fexofenadine

$$$$