Cefoperazone Dihydrate

Cefoperazone dihydrate · Obeticholic Acid Impurity 53 · Cefoperazone Dihydrate (1097705) · Cefoperazone impurity 16 （dihydrate） · Cefoperazone Dihydrate (10mM in DMSO)

https://huagongshe.com/de/chemical/6420003

Molekülstruktur von Cefoperazone Dihydrate

Identifikatoren & physikalische Daten

CAS No.	113826-44-1
Summenformel	C25H31N9O10S2
Durchschnittliche Molmasse	681,7 g/mol
Monoisotopische Masse	681,16353019 g/mol
SMILES	CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O.O.O
InChIKey	OMYIZCZQILAOGB-BYLXUVCXSA-N
PubChem CID	6420003
ChEMBL	CHEMBL1697715
EC No.	663-513-4
DTXSID	DTXSID70423565

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	273
H-Brücken-Donoren	6
H-Brücken-Akzeptoren	15
Frei drehbare Bindungen	9
Schwere Atome	46
Formalladung	0
Komplexität	1.250
Lagerbedingungen	2-8°C
Hauptanwendungen	forensics and toxicologypharmaceutical (small molecule)
InChIKey	OMYIZCZQILAOGB-BYLXUVCXSA-N
SMILES	O.O.CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c5ccc(O)cc5)C(=O)C1=O

Sicherheit & Vorschriften

GHS-Einstufung	DangerH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Sens. 1 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2941906000
R-Sätze (R)	42/43
Gefahrensymbole	Xn
Sicherheitshinweise (S)	22-36/37-45
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Resp. Sens. 1Skin Sens. 1

Anwendungen & Verwendung

Verwenden

Cefoperazone dihydrate (CAS# 113826-44-1) is the hydrated form of Cefoperazone acid (C242903), an antimicrobial β-lactamase inhibitor.