Paliperidone Palmitate（CAS号：199739-10-1）

棕榈酸帕利哌酮

基本信息

在编辑器中查看

CAS号

199739-10-1

分子式

C39H57FN4O4

分子量

664.91 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酯类

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

SMILES

在编辑器中查看

CCCCCCCCCCCCCCCC(=O)OC1CCCN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C

InChI

InChI=1S/C39H57FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3

InChIKey

VOMKSBFLAZZBOW-UHFFFAOYSA-N

LogP

9.113520000000003

拓扑极性表面积

90.46000000000001 Å²

氢键供体/受体

0 / 8

复杂度

1090

同义词与引用数据

英文

Paliperidone Palmitate
[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate
Paliperidone Palmita
3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido-[1,2-a]pyrimidin-4-one palmitate ester
3-[2-[4-(6-fluoro-1,2-benzoisoxazol-3-yl)-1-piperidyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one palmitate ester
9-Hydroxyrisperidone Palmitate
Paliperidone Palmitate [USAN]
UNII-R8P8USM8FR
Hexadecanoic acid 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester
RO 92670
Invega Sustenna
(9RS)-3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)et hyl)-2-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyriMi din-9-yl hexadecanoate
Hexadecanoic acid 3-[2-[4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl]-ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester
Paliperidone palmitate
3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl palmitate
AKOS030526057
PALIPERIDONE PALMITATE (MART.)
199739-10-1
(9RS)-3-(2-(4-(6-Fluoro-1,2-benzoisoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-9-yl palmitate
Hexadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl ester
Trinza
GLXC-02551
SB17398
PALIPERIDONE PALMITATE [ORANGE BOOK]
PALIPERIDONE PALMITATE [VANDF]
SCHEMBL12415674
3-(2-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-ylpalmitate
xeplion
Ro 92670
(9RS)-3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-9-yl hexadecanoate
rac-3-(2-(4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-9-yl hexadecanoate