2-Amino-9-{(1S,3R,4S)-4-(benzyloxy)-3-[(benzyloxy)methyl]-2-methylenecyclopentyl}-1,9-dihydro-6H-purin-6-one（CAS号：142217-81-0）

恩替卡韦中间体N8

基本信息

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CAS号

142217-81-0

分子式

C26H27N5O3

分子量

457.53 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醚类

基础化工原料有机化学品胺类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

密度

1.34

SMILES

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C=C1C(CC(C1COCC2=CC=CC=C2)OCC3=CC=CC=C3)N4C=NC5=C4N=C(NC5=O)N

InChI

InChI=1S/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/m0/s1

InChIKey

KROVOOOAPHSWCR-FKBYEOEOSA-N

LogP

3.621200000000001

拓扑极性表面积

108.05 Å²

氢键供体/受体

3 / 8

复杂度

762

安全信息

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危险说明

H302 吞咽有害
急性毒性-经口

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

同义词与引用数据

英文

3',5'-Di-O-benzyl Entecavir
2-Amino-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one
2-Amino-1,9-dihydro-9-(4-(benzyloxy)-3-(benzyloxymethyl)-2-methylene cyclopentyl)-6H-purine-6-one, (1S,3R,4S)-
AKOS025402354
AM84385
IEC6P1L62X
Q27280683
6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-((phenylmethoxy)methyl)cyclopentyl)-
UNII-IEC6P1L62X
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-; 3',5'-Di-O-Benzyl Entecavir; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-, [1S-(1alpha,3alpha,4beta)]-
W-205570
2-Amino-1,9-dihydro-9-((1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylene cyclopentyl)-6H-purine-6-one
C26H27N5O3
MFCD11977291
DS-18052
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-
142217-81-0
2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one
AC-8329
AKOS015896700
3',5'-Di-O-Benzylentecavir
C72661
Entecavir-9
SCHEMBL8781248
2-Amino-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)-methyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one
2-amino-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one
2-Amino-1,9-dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6H-purin-6-one
CS-0158057
2-amino-9-((1S,3R,4S)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one
2-amino-9-((1s,3r,4s)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-1h-purin-6(9h)-one
2-amino-1,9-dihydro-9-((1s,3r,4s)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-6h-purin-6-one