1-[2-[p-(3,4-ジヒドロ-6-メトキシ-2-フェニルナフタレン-1-イル)フェノキシ]エチル]ピロリジン

Nafoxidine

HCID 4416CAS 1845-11-0

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1
InChIKey: JEYWNNAZDLFBFF-UHFFFAOYSA-N
分子式: C29H31NO2
平均分子量: 425.6 g/mol
単同位体質量: 425.23547923

概要

Nafoxidine is a member of benzenes, a member of naphthalenes and a ring assembly.

名称と識別子

優先名称: Nafoxidine
IUPAC: 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
現地名: 1-[2-[p-(3,4-ジヒドロ-6-メトキシ-2-フェニルナフタレン-1-イル)フェノキシ]エチル]ピロリジン
英語名: Nafoxidine
分子式: C29H31NO2
分子量: 425.56

名称と別名

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

名称をさらに表示

1-[2-[4-[(3,4-ジヒドロ-6-メトキシ-2-フェニルナフタレン)-1-イル]フェノキシ]エチル]ピロリジン1-[2-[4-(3,4-ジヒドロ-6-メトキシ-2-フェニルナフタレン-1-イル)フェノキシ]エチル]ピロリジンナホキシジン1-[2-[p-(3,4-ジヒドロ-6-メトキシ-2-フェニルナフタレン-1-イル)フェノキシ]エチル]ピロリジン1-[4-(2-ピロリジノエトキシ)フェニル]-2-フェニル-6-メトキシ-3,4-ジヒドロナフタレン1-{2-[4-(6-メトキシ-2-フェニル-3,4-ジヒドロナフタレン-1-イル)フェノキシ]エチル}ピロリジン1-(4-(2-(1-ピロリジニル)エトキシ)フェニル)-2-フェニル-6-メトキシ-3,4-ジヒドロナフタレンナフォキシジン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]

データベース識別子

CAS: 1845-11-0
PubChem CID: 4416
DTXSID: DTXSID7022386
ChEMBL: CHEMBL28211
ChEBI: CHEBI:34881
UNII: 4RIY10WM82
EC Number: 694-510-6
Nikkaji: J7.793C

物性

構造計算による物性

XLogP: 5.8
極性表面積: 21.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 7
重原子数: 32
形式電荷: 0
複雑度: 611

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

沸点: 541.28 °C · 541.28°C (rough estimate)
比重(密度): 1.099 · 1.0990 (rough estimate)
屈折率: 1.629 · 1.6290 (estimate)
酸解離定数(Pka): 9.63 · 9.63±0.20(Predicted)
外見: Solid
色: White to off-white

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesCarc. 2 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H351

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

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)

応用分野

使用Anti-estrogen.

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