Trioxifene
기본 정보
- CAS
63619-84-1- 표준 SMILES
COc1ccc(C2=C(C(=O)c3ccc(OCCN4CCCC4)cc3)c3ccccc3CC2)cc1- InChIKey
IHGLINDYFMDHJG-UHFFFAOYSA-N- 분자식
- C30H31NO3
- 평균 분자량
- 453.6 g/mol
- 단동위원소 질량
- 453.23039385
개요
Trioxifene is a small molecule drug. Trioxifene has a monoisotopic molecular weight of 453.23 Da.
이름 및 식별자
- 우선 이름
- Trioxifene
- IUPAC
- [2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
- 영어명
- Trioxifene
- 분자식
- C30H31NO3
- 분자량
- 453.57
이름 및 동의어
TRIOXIFENE63619-84-1TrioxifenoTrioxifenumR0130F043HDTXSID302129973,4-dihydro-2-(p-methoxyphenyl)-1-naphthyl p-(2-(1-pyrrolidinyl)ethoxy)phenylketoneRefChem:191868DTXCID60135488LY 88571(3,4-Dihydro-2-(4-methoxyphenyl)-1-naphthalenyl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl) MethanoneMethanone, (3,4-dihydro-2-(4-methoxyphenyl)-1naphthalenyl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-
이름 더 보기
Trioxifen3,4-Dihydro-2-(p-methoxyphenyl)-1-naphthyl p-(2-(1-pyrrolidinyl)ethoxy)phenyl)ketone(3,4-Dihydro-2-(4-methoxyphenyl)-1-naphthyl)(4-(2-(1-pyrrolidinyl)ethyl)phenyl)keton[3,4-Dihydro-2-(4-methoxyphenyl)naphthalen-1-yl]4-[2-(1-pyrrolidinyl)ethoxy]phenyl ketone
Trioxifene [INN][2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanoneTrioxifeno [INN-Spanish]Trioxifenum [INN-Latin]Lilly 88571UNII-R0130F043HCHEMBL110057orb2815170
데이터베이스 식별자
- CAS
63619-84-1- PubChem CID
- 50139
- DTXSID
DTXSID30212997- ChEMBL
CHEMBL110057- UNII
- R0130F043H
- Nikkaji
- J19.668A
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 38.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 696
물리화학적 성질
- 용해도
- soluble in No data available
화학 및 산업
응용 분야
용도Trioxifene (LY-133,314) is a selective estrogen receptor modulator (SERM) with competitive binding activity against estradiol for estrogen receptor {α} (ER{α}) and antagonistic activity against ER{α}-mediated gene expression. It may be useful for the treatment of breast cancer.
관련 반응
4건
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