바제독시펜아세테이트

Bazedoxifene Acetate

HCID 154256CAS 198481-33-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
InChIKey: OMZAMQFQZMUNTP-UHFFFAOYSA-N
분자식: C32H38N2O5
평균 분자량: 530.7 g/mol
단동위원소 질량: 530.27807232

개요

See also: Bazedoxifene (has active moiety); Bazedoxifene acetate; estrogens, conjugated (component of).

이름 및 식별자

우선 이름: Bazedoxifene Acetate
IUPAC: acetic acid;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
현지명: 바제독시펜아세테이트
영어명: Bazedoxifene acetate
분자식: C32H38N2O5
분자량: 530.67

이름 및 동의어

Bazedoxifene acetate198481-33-3DuaviveBazedoxifen acetateWAY-140424DTXSID3048657J70472UD3DDTXCID00285831-(p-(2-(Hexahydro-1H-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol monoacetate (salt)1H-Indol-5-ol, 1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-, monoacetate (salt)RefChem:916768Bazedoxifene (acetate)

이름 더 보기

바제독시펜아세테이트ViviantWAY-TSE-424WAY-TES 424Unii-J70472ud3d3-Oxo ZiprasidoneBadoxifen acetateBazedoxifene acetat

MFCD092600741H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-, acetate (1:1)NCGC00182055-02Bazedoxifene Acetate1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol acetateacetic acid;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-olCAS-198481-33-3Brilence

데이터베이스 식별자

CAS: 198481-33-3
PubChem CID: 154256
DTXSID: DTXSID3048657
ChEMBL: CHEMBL2106615
UNII: J70472UD3D
EC Number: 638-804-4

물성

구조 계산 물성

극성 표면적: 95.2 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 39
형식 전하: 0
복잡도: 654

실험 및 물리화학적 성질

Human Drugs · 3건

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점: 174 · 174-178°
저장 조건: -20 °C · -20°C
용해도: 15 mg/mL, · DMSO: 용해성15mg/mL, 투명
물리적 상태: 가루
색상: 흰색에서 베이지색
InChIKey: DGEPGJZKMFNSDD-UHFFFAOYSA-N
SMILES: C(=O)(O)C.C(C1C=CC(OCCN2CCCCCC2)=CC=1)N1C2C=CC(O)=CC=2C(C)=C1C1C=CC(O)=CC=1

화학적 성질

Pale Beige Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H361 (93.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

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

Aggregated GHS information provided per 32 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesRepr. 2 (93.8%)

안전 데이터

wgk: 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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.