3-(2-氯乙基)-2-甲基-6,7,8,9-四氢-4H-吡啶[1,2-a]并嘧啶-4-酮 | 63234-80-0
3-(2-氯乙基)-2-甲基-6,7,8,9-四氢-4H-吡啶[1,2-a]并嘧啶-4-酮
3-(2-chloroethyl)-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
63234-80-0
C11H15ClN2O
226.7026
名称和标识符
MDL |
MFCD06200813 |
InChIKey |
CMWCQQUYLPYOMY-UHFFFAOYSA-N |
Inchi |
1S/C11H15ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-7H2,1H3 |
SMILES |
ClC([H])([H])C([H])([H])C1=C(C([H])([H])[H])N=C2C([H])([H])C([H])([H])C([H])([H])C([H])([H])N2C1=O |
别名信息
- 中文别名 -
- 3-(2-氯乙基)-2-甲基-6,7,8,9-四氢-4H-吡啶[1,2-a]并嘧啶-4-酮
- 3-(2-氯乙基)-6,7,8,9-四氢-2-甲基-4H-吡啶[1,2-a]并嘧啶-4-酮
- 3-(2-氯乙基)-6,7,8,9-四氢-2-甲基-4H-吡啶并[1,2-a]嘧啶-4-酮
- 3-(2-氯乙基)-2-甲基-6,7,8,9-四氢-4H-哌啶[1,2-a]嘧啶-4-酮
- 3-(2-氯乙基)-6,7,8,9-四氢-2-甲
- 3-(2-氯乙基)-6,7,8,9-四氢-2-甲基-4H-吡啶并[1,2-α]嘧啶-4-酮
- 利培酮EP杂质L
- 利培酮中间体
- 利培酮中间体6
- 克仑特罗
- 利培酮
- 英文别名 -
- 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
- 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido-(1,2-a) pyrimidin-4-one
- 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
- 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
- 3-(2-Chloro-ethyl)-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one
- 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]-pyrimidin-4-one
- 2089CR1AQN
- 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimid
- 3-(2-chloroethyl)-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
- SB10296
- DTXSID00212626
- 3-(2-Chloroethyl)-6,7,8,9-TH-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
- 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, AldrichCPR
- Risperidone EP Impurity L
- A8722
- 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]-pyrimidin-4-one
- C2433
- CMWCQQUYLPYOMY-UHFFFAOYSA-N
- SY047063
- 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one...
- BCP11946
- AS-73540
- SCHEMBL460865
- 1,2-Benzisoxazole,4-fluoro-3-(4-piperidinyl)-
- EN300-7388138
- 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[ 1,2-a]pyrimidin-4-one
- 4H-Pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-
- FT-0640879
- 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one
- AC-3457
- J-510497
- 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one
- 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2a)pyrimidine-4-one
- Q27253442
- 4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-
- RISPERIDONE IMPURITY L [EP IMPURITY]
- CS-W014205
- Risperidone impurity L [EP]
- 63234-80-0
- AKOS005552077
- Piperidopyrimidinone intermediate
- NS00035392
- 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-4-one
- 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
- PB10329
- MFCD06200813
- FT-0705669
- UNII-2089CR1AQN
物化性质
实验特性
LogP |
1.66930 |
PSA |
34.89000 |
折射率 |
1.611 |
沸点 |
337 ºC |
熔点 |
76.0 to 80.0 deg-C |
闪点 |
157 ºC |
颜色与性状 |
固体。 |
溶解性 |
未确定。 |
密度 |
1.30 |
计算特性
精确分子量 |
226.08700 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
2 |
同位素质量 |
226.087 |
重原子数量 |
15 |
复杂度 |
347 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
1.1 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
32.7 |
海关数据
海关编码 |
2933990090 |
海关数据 |
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
|
参考资料
Reaxys RN |
13389895 |
Beilstein |
MFCD06200813 |