IDENTITY
结构与身份
- 标准 SMILES
- CC(=O)Oc1ccccc1C(=O)[O-].CC(=O)Oc1ccccc1C(=O)[O-].NC(N)=O.[Ca+2]
- InChIKey
- VYMUGTALCSPLDM-UHFFFAOYSA-L
- 分子式
- C19H18CaN2O9
- 平均分子量
- 458.4 g/mol
- 单同位素质量
- 458.063821
COMPUTED
结构计算性质
- 极性表面积
- 202 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 4
- 重原子
- 31
- 形式电荷
- 0
- 复杂度
- 235
GHS
GHS 分类
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Hazard Classes and Categories
Acute Tox. 4 (100%)
PHARMACOLOGY
药理信息
ATC Code
N - Nervous system;N02 - Analgesics;N02B - Other analgesics and antipyretics;N02BA - Salicylic acid and derivatives;N02BA15 - Carbasalate calcium
B - Blood and blood forming organs;B01 - Antithrombotic agents;B01A - Antithrombotic agents;B01AC - Platelet aggregation inhibitors excl. heparin;B01AC08 - Carbasalate calcium
QN - Nervous system;QN02 - Analgesics;QN02B - Other analgesics and antipyretics;QN02BA - Salicylic acid and derivatives;QN02BA15 - Carbasalate calcium
QB - Blood and blood forming organs;QB01 - Antithrombotic agents;QB01A - Antithrombotic agents;QB01AC - Platelet aggregation inhibitors, excl. heparin;QB01AC08 - Carbasalate calcium
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
ALIASES
名称与别名
REACTIONS
参与反应
当前筛选下没有反应记录。