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HCID 3111Erstellt: 26. Oktober 2026

[(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methansulfonsure

[(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/de/chemical/3111

Molekülstruktur von [(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methansulfonsure

Identifikatoren & physikalische Daten

CAS No.50567-35-6
SummenformelC13H17N3O4S
Durchschnittliche Molmasse311,36 g/mol
Monoisotopische Masse311,09397702 g/mol
SMILESCc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C
InChIKeyLVWZTYCIRDMTEY-UHFFFAOYSA-N
PubChem CID3111
ChEMBLCHEMBL461522
ChEBICHEBI:62088
EC No.256-627-7
DTXSIDDTXSID6044143
Lokaler Name[(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methansulfonsure

Chemische & physikalische Eigenschaften

XLogP0
Polarare Oberfläche (TPSA)89,5
H-Brücken-Donoren1
H-Brücken-Akzeptoren6
Frei drehbare Bindungen4
Schwere Atome21
Formalladung0
Komplexität546
ArzneimittelPharmaceuticals -> Used in SwitzerlandPharmaceuticals -> Listed in ZINC15
Human DrugsBreast FeedingLactationMilk, HumanAnalgesic AgentsAnti-inflammatory Agents, NonsteroidalPharmaceuticals
Collision Cross Section173.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID10110043]
Dichte1.46±0.1 g/cm3(Predicted)
Schmelzpunkt131-132 °C (decomp)
pKa (Säurekonstante)1.32±0.50(Predicted)

Sicherheit & Vorschriften

HepatotoxicityCases 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 InjuryDrug-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