2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one hydrate (1:1)（CAS番号：209216-23-9）

2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one hydrate (1:1)

基本情報

編集器で閲覧

CAS番号

209216-23-9

分子式

C12H17N5O4

分子量

295.3 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品アミン類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

基本的な物理特性

融点

>220°C

沸点

734.2°C at 760 mmHg

引火点

353.8 °C

蒸気圧

No data available

比旋光度

+10.8° (c=20mg/10ml of MeOH)

SMILES

編集器で閲覧

C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N.O

InChI

InChI=1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/m0./s1

InChIKey

YXPVEXCTPGULBZ-WQYNNSOESA-N

LogP

-1.6524999999999994

トポロジカル極性表面積

161.54999999999998 Å²

水素結合ドナー/アクセプター

7 / 9

複雑度

480

安全情報

安全情報を表示

GHS危険象形図

H302

危険性の表示

H302 飲み込むと有害
急性毒性（経口）

同義語と引用データ

英語

MFCD09754448
SW220132-1
YXPVEXCTPGULBZ-WQYNNSOESA-N
6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-, monohydrate
BMS 200475-01
ENTECAVIR MONOHYDRATE [EP MONOGRAPH]
ENTECAVIR [ORANGE BOOK]
2-amino-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one hydrate
ENTECAVIR [USP MONOGRAPH]
AM90299
Baraclude (TN)
ENTECAVIR [MART.]
CS-1783
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one;hydrate
entecavir monohydrate
9-[(1S,3R,4S)-4-Hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]guanine monohydrate
D04008
AS-15414
209216-23-9
6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)- monohydrate
Entecavir (monohydrate)
Entecavir hydrate,Baraclude
HY-13623A
9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)guanine monohydrate
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate
2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-hydroxymethyl- 2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one monohydrate
2-amino-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-3H-purin-6(9H)-one hydrate
ENTECAVIR MONOHYDRATE [USP-RS]
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-, hydrate (1:1); 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-, monohydrate (9CI); Entecavir monohydrate
ENTECAVIR [USAN]
ENTECAVIR [VANDF]