(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide（CAS号：1206102-11-5）

(4R,12AS)-N-(2,4-二氟苄基)-7-苯氧基-4-甲基-6,8-二氧-3,4,6,8,12,12A-六氢-9-羧基-2H-吡啶并[1',2':4,5]吡嗪并[2,1-B][1,3]噁嗪烷-9-甲酰胺

基本信息

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CAS号

1206102-11-5

分子式

C27H25F2N3O5

分子量

509.51 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

精细化工产品专用化学品紫外线稳定剂

农用化学品农药除草剂

实验室化学品科研化学品生化试剂

基本物理性质

沸点

761.7±60.0°C at 760 mmHg

溶解度

Insuluble (7.6E-3 g/L) (25 ºC),

SMILES

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CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)OCC5=CC=CC=C5

InChI

InChI=1S/C27H25F2N3O5/c1-16-9-10-36-22-14-31-13-20(26(34)30-12-18-7-8-19(28)11-21(18)29)24(33)25(23(31)27(35)32(16)22)37-15-17-5-3-2-4-6-17/h2-8,11,13,16,22H,9-10,12,14-15H2,1H3,(H,30,34)/t16-,22+/m1/s1

InChIKey

RWEIORQEUUWOLH-ZHRRBRCNSA-N

LogP

3.2262000000000013

拓扑极性表面积

89.87000000000002 Å²

氢键供体/受体

1 / 8

复杂度

979

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

(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
(4R,12aS)-N-(2,4-difluorobenzyl)-7-benzylhydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-, (4R,12aS)
SJ4GZ8739L
(4R,12aS)-
(4R,12aS)-N-(2,4-difluorobenzyl)-7-benzylhydroxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2'
SCHEMBL2302444
MFCD22741602
DS-11349
1206102-11-5
(4R,12aS)-N-((2,4-Difluorophenyl)methyl)-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-2H-pyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazine-9-carboxamide
AC-28372
(4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-7-(phenylmethox
(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazine-9-carboxamide
AKOS027323537
A852332
(4R,12aS)-7-(benzyloxy)-N-(2,4-difluorobenzyl)-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxaMide
F11519
UNII-SJ4GZ8739L
(4R,12aS)-7-(Benzyloxy)-N-(2,4-difluorobenzyl)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-
(3S,7R)-N-[(2,4-Difluorophenyl)methyl]-7-methyl-9,12-dioxo-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
2H-Pyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazine-9-carboxamide, N-((2,4-difluorophenyl)methyl)-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-, (4R,12aS)-
(4R,12aS)-N-(2,4-difluorobenzyl)-7-benzylhydroxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxaMide
Dolutegravir o-benzyl impurity
CS-0158235

中文

(4R,12aS)-N-(2,4-二氟苄基)-7-苯氧基-4-甲基-6,8-二氧-3,4,6,8,12,12a-六氢-9-羧基-2H-吡啶并[1',2':4,5]吡嗪并[2,1-b][1,3] 噁嗪烷-9-甲酰胺
(4R,12aS)-N-(2,4-二氟苄基)-7-苯氧基-4-甲基-6,8-二氧-
3-氨基-2-4-氯苯基-2-羟基丙烷磺酸
德罗特韦 N-1
(4R,12aS)-N-[(2,4-二氟苯基)甲基]-3,4,6,8,12,12a-六氢-4-甲基-6,8-二氧代-7-(苯基甲氧基)-2H-吡啶并[1',2':4,5]吡嗪并[2,1-b][1,3]恶嗪-9-甲酰胺