ジヒドロフィナステリド

(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxamide

HCID 9864387CAS 98319-24-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: ZOIUUCNFVDJSJK-WSBQPABSSA-N
分子式: C23H38N2O2
平均分子量: 374.6 g/mol
単同位体質量: 374.29332846

名称と識別子

優先名称: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxamide
IUPAC: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
現地名: ジヒドロフィナステリド
英語名: Dihydroproscar
分子式: C23H38N2O2
分子量: 374.56

名称と別名

(4AR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxamideRefChem:403148642-100-2Dihydroproscar98319-24-5Dihydro FinasterideDihydrofinasterideFinasteride EP Impurity AFinasteride Impurity A1,2-DihydrofinasterideMFCD00214352

名称をさらに表示

ジヒドロフィナステリド(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-ブチル-4a,6a-ジメチル-2-オキソ-ヘキサデカヒドロ-1H-インデノ[5,4-f]キノリン-7-カルボキサミドN-(tert-ブチル)-3-オキソ-4-アザ-5α-アンドロスタン-17β-カルボアミドN-tert-ブチル-3-オキソ-4-アザ-5α-アンドロスタン-17β-カルボアミドANDROST-4-AZA-3-ONE-17BETA-N-TERT-BUTYL CARBOXAMIDEN-tert-butyl-3-oxo-4-aza-5α-androst-17β-carboxamide17β-(t-Butylcarbamoyl)-4-aza-5α-androstan-3-one3-oxo-4-aza-5a-androstane-17b-(n-tert-butylcarboxamide)DihydropercaFinasteride-ADihydro Persian Card

YXO6UEY0UP3-Oxo-4-aza-5-alpha-androstane-17-beta-N-t-butylcarboxamide(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-Dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide1H-Indeno[5,4-f]quinoline-7-carboxamide,N-(1,1-dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-,(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1H-Indeno(5,4-f)quinoline-7-carboxamide, N-(1,1-dimethylethyl)hexadecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)C23H38N2O2(5|A,17|A)-N-(1,1-Dimethylethyl)-3-oxo-4-aza-androstane-17-carboxamide

データベース識別子

CAS: 98319-24-5
PubChem CID: 9864387
DTXSID: DTXSID40432068
ChEMBL: CHEMBL2298592
UNII: YXO6UEY0UP
EC Number: 642-100-2
Nikkaji: J695.696C

物性

構造計算による物性

XLogP: 4
極性表面積: 58.2 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 27
形式電荷: 0
複雑度: 639

物理化学的性質

融点: 273 · 273-275 °C
沸点: 569.4 · 569.4±49.0 °C(Predicted)
比重(密度): 1.051 · 1.051±0.06 g/cm3(Predicted)
貯蔵温度: 20 °C · −20°C
溶解性: クロロホルム（微量）、メタノール
酸解離定数(Pka): 15.94 · 15.94±0.70(Predicted)
外見: 粉
色: 黄色
InChIKey: ZOIUUCNFVDJSJK-WSBQPABSSA-N
SMILES: N1[C@@]2([H])[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@]([H])([C@]3([H])CC2)CC[C@@H]4C(NC(C)(C)C)=O)CCC1=O

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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 CategoriesAcute Tox. 4 (50%)

安全データ

wgk: 3
hs_code: 29242990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

化学と産業

応用分野

使用The reduced product of Finasteride (F342000): a mechanism-based inhibitor of human prostate and skin steroid 5α-reductase. It forms an enzyme-bound NADP-dihydrofinasteride adduct during this inhibitor y process.

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