Raloxifene


Raloxifene
DEDuCT identifierDED000078
Pubchem identifier5035
CAS identifier84449-90-1
IUPAC nameRaloxifene
Category based on type of supporting evidenceCategory III
Broad category based on environmental sourceMedicine and Healthcare, Consumer Products
Sub-category based on environmental sourceDrugs and Pharmaceuticals, Food additives
Chemical kingdomOrganic compounds
Chemical super-classOrganic oxygen compounds
Chemical classOrganooxygen compounds
SMILESC1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
InChIInChI=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
InChIKeyGZUITABIAKMVPG-UHFFFAOYSA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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