卡立普多结构式
|
常用名 | 卡立普多 | 英文名 | Carisoprodol |
|---|---|---|---|---|
| CAS号 | 78-44-4 | 分子量 | 260.330 | |
| 密度 | 1.1±0.1 g/cm3 | 沸点 | 423.4±28.0 °C at 760 mmHg | |
| 分子式 | C12H24N2O4 | 熔点 | 92-92°C | |
| MSDS | N/A | 闪点 | 209.9±24.0 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
卡立普多用途Carisoprodol is a centrally acting skeletal muscle relaxant of the carbamate class and produces all the effects associated with barbiturate receptor ligands. |
| 中文名 | 卡利普多 |
|---|---|
| 英文名 | carisoprodol |
| 中文别名 | 异丙基甲丁双脲 | 卡立普多 | 异庚二酯 |
| 英文别名 | 更多 |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 423.4±28.0 °C at 760 mmHg |
| 熔点 | 92-92°C |
| 分子式 | C12H24N2O4 |
| 分子量 | 260.330 |
| 闪点 | 209.9±24.0 °C |
| 精确质量 | 260.173615 |
| PSA | 90.65000 |
| LogP | 2.15 |
| InChIKey | OFZCIYFFPZCNJE-UHFFFAOYSA-N |
| SMILES | CCCC(C)(COC(N)=O)COC(=O)NC(C)C |
| 外观性状 | 白色粉末 |
| 蒸汽压 | 0.0±1.0 mmHg at 25°C |
| 折射率 | 1.466 |
| 储存条件 | 2-8°C |
| 水溶解性 | <0.1 g/100 mL at 19.5 ºC |
| 分子结构 | 1、 摩尔折射率:68.24 2、 摩尔体积(cm3/mol):246.4 3、 等张比容(90.2K):608.5 4、 表面张力(dyne/cm):37.1 5、 极化率(10-24cm3):27.05 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:2 3.氢键受体数量:4 4.可旋转化学键数量:9 5.互变异构体数量:4 6.拓扑分子极性表面积90.6 7.重原子数量:18 8.表面电荷:0 9.复杂度:281 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:1 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H302 |
| 警示性声明 | P301 + P312 + P330 |
| 危害码 (欧洲) | Xn: Harmful; |
| 风险声明 (欧洲) | R22 |
| 安全声明 (欧洲) | S36 |
| 危险品运输编码 | NONH for all modes of transport |
| RTECS号 | FB3325000 |
| 海关编码 | 2924199090 |
|
~79%
卡立普多 78-44-4 |
| 文献:Gorodetskii, L. Sh.; Volzhina, O. N.; Kuznetsova, I. A.; Alekseeva, E. N. Pharmaceutical Chemistry Journal, 1982 , vol. 16, # 6 p. 474 - 477 Khimiko-Farmatsevticheskii Zhurnal, 1982 , vol. 16, # 6 p. 718 - 721 |
|
~%
卡立普多 78-44-4 |
| 文献:Pharmaceutical Chemistry Journal, , vol. 16, # 6 p. 474 - 477 Khimiko-Farmatsevticheskii Zhurnal, , vol. 16, # 6 p. 718 - 721 |
|
~%
卡立普多 78-44-4 |
| 文献:Pharmaceutical Chemistry Journal, , vol. 16, # 6 p. 474 - 477 Khimiko-Farmatsevticheskii Zhurnal, , vol. 16, # 6 p. 718 - 721 |
|
~%
卡立普多 78-44-4 |
| 文献:Monatshefte fuer Chemie, , vol. 94, p. 426 - 433 |
| 海关编码 | 2924199090 |
|---|---|
| 中文概述 | 2924199090. 其他无环酰胺(包括无环氨基甲酸酯)(包括其衍生物及盐). 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:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 包装 |
| Summary | 2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
| EINECS 201-118-7 |
| 2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate |
| 1-Carbamoyloxy-2-isopropylcarbamoyloxymethyl-2-methyl-pentan |
| Carisol |
| 2-[(carbamoyloxy)methyl]-2-methylpentyl (1-methylethyl)carbamate |
| N-isopropyl 2-methyl-2-propyl-propane-1,3-diol di(carbamate) |
| Carbamic acid, (1-methylethyl)-, 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl ester |
| RELA |
| 4-methyl-4-propyl-2,6-dioxa-heptanedioic acid amide-isopropylamide |
| Brianil |
| 4-Methyl-4-propyl-2,6-dioxa-heptandisaeure-amid-isopropylamid |
| Flexal |
| carisoprodol |
| cb8019 |
| 1-Carbamoyloxy-3-isopropylcarbamoyloxy-2-methyl-2-propyl-propan |
| Carisoma |
| 2-[(carbamoyloxy)methyl]-2-methylpentyl (1-methylethyl)carbamate (non-preferred name) |
| 2-{[(aminocarbonyl)oxy]methyl}-2-methylpentyl isopropylcarbamate |
| Mioril |
| carbamic acid, (1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester |
| Carbamic acid, N-(1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester |
| Apesan |
| Sanoma |
| Arusal |
| 2-[(carbamoyloxy)methyl]-2-methylpentyl propan-2-ylcarbamate (non-preferred name) |
| Soma |
| MFCD00057661 |
| Calenfa |