Nafoxidine

HCID 4416CAS 1845-11-0

부분 구조 검색 유사 구조 찾기

기본 정보

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 Å²
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

GHS 분류

GHS Classification · 4건

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 · 2건

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.

공급사25 곳

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]

北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]

BOC Sciences1-631-485-4226; 16314854226 · [email protected]

연결된 노트

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