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Details

Stereochemistry ACHIRAL
Molecular Formula C28H27NO5S
Molecular Weight 489.583
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RALOXIFENE N-OXIDE

SMILES

OC1=CC=C(C=C1)C2=C(C(=O)C3=CC=C(OCC[N+]4([O-])CCCCC4)C=C3)C5=C(S2)C=C(O)C=C5

InChI

InChIKey=KNADIZJVEMEXLS-UHFFFAOYSA-N
InChI=1S/C28H27NO5S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)35-28)27(32)19-6-11-23(12-7-19)34-17-16-29(33)14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2

HIDE SMILES / InChI

Molecular Formula C28H27NO5S
Molecular Weight 489.583
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:46:28 GMT 2025
Edited
by admin
on Mon Mar 31 21:46:28 GMT 2025
Record UNII
X1BRV5W297
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RALOXIFENE RELATED COMPOUND C
USP-RS  
Preferred Name English
RALOXIFENE N-OXIDE
Common Name English
RALOXIFENE RELATED COMPOUND C [USP-RS]
Common Name English
RALOXIFENE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
(6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOTHIOPHEN-3-YL)(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)METHANONE N-OXIDE
Systematic Name English
RALOXIFENE RELATED COMPOUND C [USP IMPURITY]
Common Name English
METHANONE, (6-HYDROXY-2-(4-HYDROXYPHENYL)BENZO(B)THIEN-3-YL)(4-(2-(1-OXIDO-1-PIPERIDINYL)ETHOXY)PHENYL)-
Systematic Name English
Code System Code Type Description
CAS
195454-31-0
Created by admin on Mon Mar 31 21:46:28 GMT 2025 , Edited by admin on Mon Mar 31 21:46:28 GMT 2025
PRIMARY
FDA UNII
X1BRV5W297
Created by admin on Mon Mar 31 21:46:28 GMT 2025 , Edited by admin on Mon Mar 31 21:46:28 GMT 2025
PRIMARY
RS_ITEM_NUM
1598234
Created by admin on Mon Mar 31 21:46:28 GMT 2025 , Edited by admin on Mon Mar 31 21:46:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID50173218
Created by admin on Mon Mar 31 21:46:28 GMT 2025 , Edited by admin on Mon Mar 31 21:46:28 GMT 2025
PRIMARY
PUBCHEM
15484782
Created by admin on Mon Mar 31 21:46:28 GMT 2025 , Edited by admin on Mon Mar 31 21:46:28 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY