(6-((Methylsulfonyl)oxy)-2-(4-((methylsulfonyl)oxy)phenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride
기본 정보
- CAS
84449-85-4- 표준 SMILES
CS(=O)(=O)Oc1ccc(-c2sc3cc(OS(C)(=O)=O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1.Cl- InChIKey
FAWLEUFZZQAEDA-UHFFFAOYSA-N- 분자식
- C30H32ClNO8S3
- 평균 분자량
- 666.2 g/mol
이름 및 식별자
- 우선 이름
- (6-((Methylsulfonyl)oxy)-2-(4-((methylsulfonyl)oxy)phenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride
- IUPAC
- [4-[6-methylsulfonyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] methanesulfonate;hydrochloride
- 영어명
- Raloxifene Impurity 1
- 분자식
- C28H27NO4S
- 분자량
- 473.58328
이름 및 동의어
84449-85-4(6-((Methylsulfonyl)oxy)-2-(4-((methylsulfonyl)oxy)phenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride (9ci)[6-[(methylsulfonyl)oxy]-2-[4-[(methylsulfonyl)oxy]phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-, hydrochloride (9CI)RefChem:404878EC 696-244-6(6-((Methylsulfonyl)oxy)-2-(4-((methylsulfonyl)oxy)phenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride696-244-6Raloxifene Impurity 1[4-[6-methylsulfonyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] methanesulfonate;hydrochlorideSCHEMBL1438899FAWLEUFZZQAEDA-UHFFFAOYSA-NNS00078464
이름 더 보기
Raloxifene Dimesylate HCl(2-(4-hydroxyphenyl)-6-methoxybenzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone hydrochloride[6-[(methylsulfonyl)oxy]-2-[4- [(methylsulfonyl)oxy]phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-, hydrochloride (9CI)[6-[(methylsulfonyl)oxy]-2-[4-[(methylsulfonyl)oxy]phenyl]benzo[b]thien-3-yl][4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone hydrochloride
물성
구조 계산 물성
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,100
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationStatus: Active Update: 05-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17672
Hazard Classes and CategoriesCarc. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H351
화학 및 산업
응용 분야
용도Raloxifene Dimesylate is an impurity of Raloxifene (R100000), a nonsteroidal, selective estrogen receptor modulator (SERM). Antiosteoporotic.
관련 반응
13건
화합물 노트
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