Cefoperazone dihydrate

Base Information

• Chemical Name: Cefoperazone dihydrate
• CAS No.: 113826-44-1
• Molecular Formula: C25H27N9O8S2.2(H2O)
• Molecular Weight: 645.66738
• Hs Code.: 2941906000
• European Community (EC) Number: 663-513-4
• UNII: P4ABU378WM
• DSSTox Substance ID: DTXSID70423565
• ChEMBL ID: CHEMBL1697715
• Mol file: 113826-44-1.mol

Synonyms:Cefoperazone dihydrate;Cefoperazone (dihydrate);P4ABU378WM;113826-44-1;(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate;(6R,7R)-7-((R)-2-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid dihydrate;(6R,7R)-7-[(R)-2-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)-2-(4-hydroxyphenyl)acetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, dihydrate, (6R-(6alpha,7beta(R*)))-;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2R)-2-(((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, hydrate (1:2), (6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, hydrate (1:2), (6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, dihydrate, [6R-[6alpha,7beta(R*)]]-;Prestwick_735;UNII-P4ABU378WM;SCHEMBL3758644;CHEMBL1697715;HY-B0210C;DTXSID70423565;HMS1569A15;HMS2096A15;HMS3713A15;MFCD17171280;CCG-220327;CS-0129489;Cefoperazone dihydrate, VETRANAL(TM), analytical standard;Cefoperazone dihydrate, European Pharmacopoeia (EP) Reference Standard;Cefoperazone dihydrate, United States Pharmacopeia (USP) Reference Standard

Chemical Property of Cefoperazone dihydrate

Chemical Property:

• PSA: 296.30000
• LogP: -0.38220
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 9
• Exact Mass: 681.16353057
• Heavy Atom Count: 46
• Complexity: 1250

Purity/Quality:

98%Min ^*data from raw suppliers

Cefoperazone dihydrate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 42/43
• Safety Statements: 22-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O.O.O
• Isomeric SMILES: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O.O.O
• Uses: Cefoperazone dihydrate (CAS# 113826-44-1) is the hydrated form of Cefoperazone acid (C242903), an antimicrobial β-lactamase inhibitor.