メタミゾール

[(2,3-ジヒドロ-1,5-ジメチル-3-オキソ-2-フェニル-1H-ピラゾール-4-イル)メチルアミノ]メタンスルホン酸 · [[(2,3-ジヒドロ-1,5-ジメチル-3-オキソ-2-フェニル-1H-ピラゾール)-4-イル]メチルアミノ]メタンスルホン酸 · メタミゾール【Methamizole】 · {[(1,5-ジメチル-3-オキソ-2-フェニル-2,3-ジヒドロ-1H-ピラゾール-4-イル)メチル]アミノ}メタンスルホン酸 · メタミゾール · [(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonic acid · [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonic acid · Methanesulfonic acid, 1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-

https://huagongshe.com/ja/chemical/3111

識別子と物理属性

CAS No.	50567-35-6
分子式	C13H17N3O4S
平均分子量	311.36 g/mol
単同位体質量	311.09397702 g/mol
SMILES	Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C
InChIKey	LVWZTYCIRDMTEY-UHFFFAOYSA-N
PubChem CID	3111
ChEMBL	CHEMBL461522
ChEBI	CHEBI:62088
EC No.	256-627-7
DTXSID	DTXSID6044143
現地名	メタミゾール

化学・物理的性質

XLogP	0
極性表面積	89.5
水素結合供与体数	1
水素結合受容体数	6
回転可能結合数	4
重原子数	21
形式電荷	0
複雑度	546
医薬品	Pharmaceuticals -> Used in SwitzerlandPharmaceuticals -> Listed in ZINC15
Human Drugs	Breast FeedingLactationMilk, HumanAnalgesic AgentsAnti-inflammatory Agents, NonsteroidalPharmaceuticals
Collision Cross Section	173.9 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID10110043]
密度	1.46±0.1 g/cm3(Predicted)
融点	131-132 °C (decomp)
pKa（酸解離定数）	1.32±0.50(Predicted)

安全性と法規制

Hepatotoxicity	Cases of liver injury from metamizole were rarely reported before 2019 when two case series of liver injury from its use including fatalities were reported from Germany. Reassessments were conducted by the European Medicines Agency based upon accumulation of more than 40 cases. Within a year or two, reviews of more than 50 cases of clinically apparent liver injury due to metamizole were described. The clinical features of metamizole-associated liver injury have varied greatly, some being hyper-acute with rapid onset of fever, rash, and jaundice after the initial or first several doses. These cases may represent hypersensitivity reactions such as hepatic involvement in DRESS syndrome, toxic epidermal necrolysis, or Stevens-Johnson syndrome.
Drug Induced Liver Injury	Drug-Induced Liver Injury Severity and Toxicity (DILIst)METAMIZOLEDILI PositiveDOI:10.1016/j.drudis.2019.09.022
Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation