Nafoxidine
기본 정보
- CAS
1845-11-0- 표준 SMILES
COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1- InChIKey
JEYWNNAZDLFBFF-UHFFFAOYSA-N- 분자식
- C29H31NO2
- 평균 분자량
- 425.6 g/mol
- 단동위원소 질량
- 425.23547923
개요
Nafoxidine is a member of benzenes, a member of naphthalenes and a ring assembly.
이름 및 식별자
- 우선 이름
- Nafoxidine
- IUPAC
- 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
- 영어명
- Nafoxidine
- 분자식
- C29H31NO2
- 분자량
- 425.56
이름 및 동의어
Nafoxidine1845-11-0NafoxidinaNafoxidinum1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine4RIY10WM82U-11000A1-(2-(4-(6-Methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy)ethyl)pyrrolidinePyrrolidine, 1-(2-(4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)ethyl)-1-{2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl}pyrrolidineDTXSID7022386Hydrochloride, Nafoxidine
이름 더 보기
Nafoxidine, 10 mM in DMSO1-(2-(4-(3,4-Dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)ethyl)pyrrolidene1-[2-[p-(3,4-Dihydro-6-methoxy-2-phenylnaphthalen-1-yl)phenoxy]ethyl]pyrrolidine1-[2-[4-(3,4-Dihydro-6-methoxy-2-phenylnaphthalen-1-yl)phenoxy]ethyl]pyrrolidine1-{2-[4-(6-Methoxy-2-phenyl-3,4-dihydro-1-naphthalenyl)phenoxy]ethyl}pyrrolidinePyrrolidine, 1-[2-[4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy]ethyl]-
RefChem:164408DTXCID602386U11000AU 11000AU11,100AU 11,100ANafoxidine [INN]Nafoxidinum [INN-Latin]
데이터베이스 식별자
- CAS
1845-11-0- PubChem CID
- 4416
- DTXSID
DTXSID7022386- ChEMBL
CHEMBL28211- ChEBI
CHEBI:34881- UNII
- 4RIY10WM82
- EC Number
- 694-510-6
- Nikkaji
- J7.793C
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 21.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 611
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 541.28 °C · 541.28°C (rough estimate)
- 밀도
- 1.099 · 1.0990 (rough estimate)
- 굴절률
- 1.629 · 1.6290 (estimate)
- 산도 계수 (pKa)
- 9.63 · 9.63±0.20(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
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
약리 정보
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.
Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079)
응용 분야
용도Anti-estrogen.
관련 반응
4건
화합물 노트
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