RALOXIFENE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H27NO4S
Molecular Weight	473.583
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RALOXIFENE

Structure Search

SMILES

OC1=CC=C(C=C1)C2=C(C(=O)C3=CC=C(OCCN4CCCCC4)C=C3)C5=C(S2)C=C(O)C=C5

InChI

InChIKey=GZUITABIAKMVPG-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C28H27NO4S
Molecular Weight	473.583
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:46:25 UTC 2023` Edited by `admin` on `Fri Dec 15 15:46:25 UTC 2023`
Record UNII	YX9162EO3I
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

RALOXIFENE

Official Name

English

EVIDEN

Brand Name

English

RALOXIFENE [HSDB]

Common Name

English

Raloxifene [WHO-DD]

Common Name

English

RAXETO

Brand Name

English

NSC-747974

Code

English

LY-139481

Code

English

RALOXIFENE [VANDF]

Common Name

English

RALOXIFENE [MI]

Common Name

English

RALOXIPHENE

Common Name

English

raloxifene [INN]

Common Name

English

J22.982B

Code

English

KEOXIFENE

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000175826

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

WHO-ATC

G03XC01

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

LIVERTOX

NBK548475

NDF-RT

N0000000168

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

NCI_THESAURUS

C1821

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

FDA ORPHAN DRUG

197504

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

WHO-VATC

QG03XC01

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

LIVERTOX

NBK548475

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

Code System Code Type Description

MESH

D020849

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

NSC

747974

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

CAS

84449-90-1

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

NCI_THESAURUS

C1518

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

EPA CompTox

DTXSID3023550

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

CHEBI

8772

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

PUBCHEM

5035

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

SMS_ID

100000089181

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

MERCK INDEX

m9485

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

Merck Index

RXCUI

72143

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

RxNorm

FDA UNII

YX9162EO3I

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

WIKIPEDIA

RALOXIFENE

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

ChEMBL

CHEMBL81

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

HSDB

7460

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

INN

5388

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

DAILYMED

YX9162EO3I

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

DRUG CENTRAL

2351

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

DRUG BANK

DB00481

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

IUPHAR

2820

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

EVMPD

SUB10243MIG

Created by admin on Fri Dec 15 15:46:25 UTC 2023 , Edited by admin on Fri Dec 15 15:46:25 UTC 2023

PRIMARY

Related Record Type Details


					0RFO7VC96N

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> SUBSTRATE


					S0025AG5ZT

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A10

METABOLIC ENZYME -> SUBSTRATE


					YX9162EO3I

EXCRETED UNCHANGED

Comments:

Raloxifene is primarily excreted in feces, and less than 0.2% is excreted unchanged in urine.

Interaction Type:

MAJOR

Qualification:

FECAL


					LR0F81F33L

ALDEHYDE OXIDASE

METABOLIC ENZYME -> INHIBITOR

Qualification:

IC50

Amount:


					YX9162EO3I

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					SIDP85PFD6

ESTROGEN RECEPTOR

TARGET -> AGONIST


					S5EY2C8G0B

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A8

METABOLIC ENZYME -> SUBSTRATE


					T67D4XMG4Q

RALOXIFENE HYDROCHLORIDE MONOHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					4F86W47BR6

RALOXIFENE HYDROCHLORIDE

SALT/SOLVATE -> PARENT


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

Raloxifene and its two monoglucoronide conjugates are highly bound (.95%) to plasma proteins Raloxifene is primarily excreted in feces, and less than including bot.h albumin and a-1 acid glycoprotein

Interaction Type:

BINDING

Amount:

Related Record Type Details


					UZ95WFT3LZ

RALOXIFENE 4'-GLUCURONIDE

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

FECAL; PLASMA; URINE


					JDB040T4BJ

RALOXIFENE-6, 4'-DIGLUCURONIDE

METABOLITE -> PARENT

Qualification:

FECAL; PLASMA; URINE


					446O3AY2S7

RALOXIFENE 6-GLUCURONIDE

METABOLITE -> PARENT

Qualification:

FECAL; PLASMA; URINE

Related Record Type Details


					YX9162EO3I

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC		`YX9162EO3I` RALOXIFENE		Elimination PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC				ORAL ADMINISTRATION SINGLE DOSE