Raloxifene Hydrochloride

HCID 54900CAS 82640-04-8

기본 정보

표준 SMILES: Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12
InChIKey: BKXVVCILCIUCLG-UHFFFAOYSA-N
분자식: C28H28ClNO4S
평균 분자량: 510 g/mol
단동위원소 질량: 509.14275706

개요

Raloxifene hydrochloride is a hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride. It has a role as a bone density conservation agent, an estrogen receptor modulator and an estrogen antagonist. It contains a raloxifene(1+).

이름 및 식별자

우선 이름: Raloxifene Hydrochloride
IUPAC: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride

이름 및 동의어

RALOXIFENE HYDROCHLORIDE82640-04-8Raloxifene HclEvistaKeoxifene hydrochlorideOptrumaRaloxifene TevaDTXSID1034181LY156758LY 156758NSC-706725LY-156758

이름 더 보기

4F86W47BR6DTXCID9014181CHEBI:50740NSC706725[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochlorideLY139481OstiralRazylan

데이터베이스 식별자

CAS: 82640-04-8
PubChem CID: 54900
DTXSID: DTXSID1034181
ChEMBL: CHEMBL1116
ChEBI: CHEBI:50740
UNII: 4F86W47BR6
EC Number: 639-789-7

물성

구조 계산 물성

극성 표면적: 98.2 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 35
형식 전하: 0
복잡도: 655

실험 및 물리화학적 성질

Human Drugs · 5건

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

Collision Cross Section213.4 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H351 (82.4%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesCarc. 2 (82.4%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Raloxifene hydrochloride

vLess-DILI-concern

No match

DOI:10.1016/j.drudis.2016.02.015

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

RALOXIFENE HYDROCHLORIDE

Estrogen Agonist/Antagonist [EPC]; Selective Estrogen Receptor Modulators [MoA]

MeSH Pharmacological Classification · 3건

Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.

A structurally diverse group of compounds distinguished from ESTROGENS by their ability to bind and activate ESTROGEN RECEPTORS but act as either an agonist or antagonist depending on the tissue type and hormonal milieu. They are classified as either first generation because they demonstrate estrogen agonist properties in the ENDOMETRIUM or second generation based on their patterns of tissue specificity. (Horm Res 1997;48:155-63)

Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.