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M  END
> <ID>
CHEBI:8772

> <NAME>
raloxifene

> <DEFINITION>
A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45355

> <SYNONYM>
Raloxifene; LY 139481; (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone

> <IUPAC_NAME>
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone

> <INN>
raloxifenum; raloxifeno; raloxifene; raloxifene

> <BRAND_NAME>
Keoxifene

> <FORMULA>
C28H27NO4S

> <MASS>
473.585

> <MONOISOTOPIC_MASS>
473.16608

> <CHARGE>
0

> <SMILES>
S1C(=C(C2=C1C=C(O)C=C2)C(=O)C3=CC=C(OCCN4CCCCC4)C=C3)C5=CC=C(O)C=C5

> <INCHI>
InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2

> <INCHIKEY>
GZUITABIAKMVPG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4890356

> <CAS_REGISTRY_NUMBER>
84449-90-1

> <CHEMIDPLUS>
84449-90-1

> <DRUGBANK_ACCESSION>
DB00481

> <KEGG_COMPOUND_ACCESSION>
C07228

> <KEGG_DRUG_ACCESSION>
D08465

> <LINCS_ACCESSION>
LSM-3425

> <PDBECHEM_ACCESSION>
RAL

> <WIKIPEDIA_ACCESSION>
Raloxifene

$$$$