4-(4-氯苄基)-1-(2H)-酞嗪酮 | 53242-88-9
4-(4-氯苄基)-1-(2H)-酞嗪酮
4-(4-Chlorophenyl)methyl-1(2H)-phthalazinone
53242-88-9
C15H11ClN2O
270.7136
名称和标识符
| MDL |
MFCD02168779 |
| InChIKey |
NLXGCQIEVZYDRS-UHFFFAOYSA-N |
| Inchi |
1S/C15H11ClN2O/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(19)18-17-14/h1-8H,9H2,(H,18,19) |
| SMILES |
ClC1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])C1C2=C([H])C([H])=C([H])C([H])=C2C(N([H])N=1)=O |
别名信息
- 中文别名 -
- 4-(4-氯苄基)-1-(2H)-酞嗪酮
- 4-（4-氯苄基）-1-（2H）酞嗪酮（酞酮）
- 盐酸氮卓斯汀相关物质D
- 盐酸氮卓斯汀杂质D
- 盐酸氮卓斯汀杂质D(EP) 标准品
- 英文别名 -
- 4-(4-Chlorobenzyl)phthalazin-1(2H)-one
- 4-[(4-Chlorophenyl)methyl]phthalazin-1(2H)-one
- 4-[(4-Chlorophenyl)methyl]-1(2H)-phthalazinone
- 2-Bromo-9,9-dimethylfluorene
- 4-((4-Chlorophenyl)methyl)phthalazin-1(2H)-one
- 4-(4-CHLORO-BENZYL)-2H-PHTHALAZIN-1-ONE
- Azelastine impurity D
- 4-[(4-chlorophenyl)methyl]-2H-phthalazin-1-one
- MLS000547504
- 4-(4-chlorobenzyl)phthalazin-1-ol
- 4-(4-chlorobenzyl)-1(2H)-phthalazinone
- 56DW142LLX
- SMR000113649
- 4-(4-Chlorobenzyl)-2H-phthalazin-1-one
- 4-{[4-chlorophenyl]methyl}-1(2H)-pht
- 4-(4-chlorobenzyl)phthalazin-1(2H)-one
- 4-(4-chlorobenzyl)phthalazin-1(2H)-one
- DTXSID50201343
- DTXSID50201343
- 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-
- 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-
- NCGC00247234-01
- NCGC00247234-01
- cid_104452
- cid_104452
- 4-{[4-chlorophenyl]methyl}-1(2H)-phthalazinone
- 4-{[4-chlorophenyl]methyl}-1(2H)-phthalazinone
- SY107587
- SY107587
- PD181753
- PD181753
- AKOS015918495
- AKOS015918495
- NLXGCQIEVZYDRS-UHFFFAOYSA-N
- NLXGCQIEVZYDRS-UHFFFAOYSA-N
- CHEMBL63976
- CHEMBL63976
- 4-(4-Chloro-benzyl)-2H-phthalazin-1-one
- 4-(4-Chloro-benzyl)-2H-phthalazin-1-one
- 4-[(4-CHLOROPHENYL)METHYL]PHTHALAZIN-1(2H)-ONE
- 4-[(4-CHLOROPHENYL)METHYL]PHTHALAZIN-1(2H)-ONE
- FT-0658923
- CS-0156014
- FT-0658923
- Oprea1_490645
- CS-0156014
- EINECS 258-445-3
- Oprea1_490645
- 4-((4-CHLOROPHENYL)METHYL)-1(2H)-PHTHALAZINONE
- BDBM56339
- EINECS 258-445-3
- AZELASTINE IMPURITY D(USP)
- 4-((4-CHLOROPHENYL)METHYL)-1(2H)-PHTHALAZINONE
- W-109042
- BDBM56339
- UNII-56DW142LLX
- AZELASTINE IMPURITY D(USP)
- MFCD02168779
- W-109042
- 53242-88-9
- UNII-56DW142LLX
- AC-4493
- MFCD02168779
- HMS2330L09
- 53242-88-9
- AZELASTINE HYDROCHLORIDE IMPURITY D [EP IMPURITY]
- AC-4493
- 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-
- HMS2330L09
- SCHEMBL1789242
- AZELASTINE HYDROCHLORIDE IMPURITY D [EP IMPURITY]
- AS-15947
- 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-
- SCHEMBL1789242
- 1(2H)-PHTHALAZINONE, 4-P-CHLOROBENZYL-
- AS-15947
- A829472
- 1(2H)-PHTHALAZINONE, 4-P-CHLOROBENZYL-
- NS00032687
- A829472
- 4(4-chlorobenzyl)-1(2H)-phthalazinone
- NS00032687
- Q27261402
- 4(4-chlorobenzyl)-1(2H)-phthalazinone
- Q27261402
物化性质
实验特性
| LogP |
3.16730 |
| PSA |
45.75000 |
| 沸点 |
522.3°C at 760 mmHg |
| 熔点 |
219-222°C |
计算特性
| 精确分子量 |
270.05600 |
| 氢键供体数量 |
1 |
| 氢键受体数量 |
2 |
| 可旋转化学键数量 |
2 |
| 同位素质量 |
270.0559907g/mol |
| 重原子数量 |
19 |
| 复杂度 |
374 |
| 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） |
3.2 |
| 拓扑分子极性表面积 |
41.5 |
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%
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