9H-Purin-2-amine, N-[(4-methoxyphenyl)diphenylmethyl]-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-（CAS番号：142217-80-9）

9H-Purin-2-amine, N-[(4-methoxyphenyl)diphenylmethyl]-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-

基本情報

編集器で閲覧

CAS番号

142217-80-9

分子式

C53H49N5O4

分子量

820 g/mol

化学分類

基礎化学原料有機化学品エーテル類

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

実験室化学品研究用化学品生化学試薬

基本的な物理特性

密度

1.19

屈折率

1.635

SMILES

編集器で閲覧

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)N=CN5C7CC(C(C7=C)COCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C53H49N5O4/c1-38-46(36-60-33-39-18-8-3-9-19-39)48(61-34-40-20-10-4-11-21-40)32-47(38)58-37-54-49-50(58)55-52(56-51(49)62-35-41-22-12-5-13-23-41)57-53(42-24-14-6-15-25-42,43-26-16-7-17-27-43)44-28-30-45(59-2)31-29-44/h3-31,37,46-48H,1,32-36H2,2H3,(H,55,56,57)/t46-,47+,48?/m1/s1

InChIKey

OXHGMTPGAFKZHK-SHRDPCBYSA-N

LogP

10.737299999999992

トポロジカル極性表面積

92.55000000000001 Å²

水素結合ドナー/アクセプター

1 / 9

複雑度

1310

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

6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyph
6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylene-cyclopenyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine
AKOS015896665
Entecavir Impurity 3
DS-15256
A807871
6-(Benzyloxy)-9-((1S,3R,3S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine
AMY30868
6-(Benzyloxy)-9-{(1S,3S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylidenecyclopentyl}-N-[(4-methoxyphenyl)(diphenyl)methyl]-9H-purin-2-amine
142217-80-9
DTXSID10676891
CS-0160586
N-[(4-methoxyphenyl)-diphenylmethyl]-9-[(1S,3S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxypurin-2-amine
6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine
9H-Purin-2-amine, N-[(4-methoxyphenyl)diphenylmethyl]-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-
6-(Benzyloxy)-9-(1S,3R,3S)-4-(benzyloxy)-3-(benzyoxymethyl)-2-methylenecyclopentyl)-N-N-(4-methyoxyphenyl)diaphenylmethyl)-9H-purin-2-amine
6-(benzyloxy)-9-(1S,3R,3S)-4-(benzyloxy)_3-(benzyoxymethyl)-2-methylenecyclopentyl)-N-N -(4-methyoxyphenyl)diaphenylmethyl)-9H-purin-2-amino
Entecavir intermediate N7
6-(BENZYLOXY)-9-((1S,3R,3S)-4-(BENZYLOXY)-3-(BENZYLOXYMETHYL)-2-METHYLENECYCLOPENTYL)-N-((4-METHOXYPHENYL)DIPHENYLMETHY...
6-(Benzyloxy)-9-((1S,3S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylene-cyclopenyl)-N-((4-methoxyphenyl)diphenylmethyl...
9H-Purin-2-amine, N-[(4-methoxyphenyl)diphenylmethyl]-9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-, [1S-(1a,3a,4b)]-
Entecavir Intermediate VII
Entecavir N7
I06-2209
9H-Purin-2-amine,N-[(4-methoxyphenyl)diphenylmethyl]-9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-,[1S-(1a,3a,4b)]- (9CI)
6-(benzyloxy)-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenylmethyl)-9H-purin-2-amine
entecavir-7
217B809
6-(benzyloxy)-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)met
hyl)-2-methylenecyclopentyl)-N-((4-methoxyphenyl)diphenyl
N-[(4-Methoxyphenyl)-diphenylmethyl]-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymet