Ceftazidime ep impurity B

C₂₂H₂₂N₆O₇S₂CAS 97148-38-4546.57 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Oxime Primary amine Sulfide

Properties

Molecular formula: C₂₂H₂₂N₆O₇S₂
Molar mass: 546.57 g/mol
Exact mass: 546.0991 Da
logP: -1.30Crippen estimate
Polar surface area: 191.2 Å²
H-bond donors / acceptors: 3 / 11
Rotatable bonds: 9
Stereocentres: R, Rin SMILES atom order
Double bonds: EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

97148-38-4

SMILES

CC(C)(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]

InChIKey

ORFOPKXBNMVMKC-KZBLUZIOSA-N

InChI

InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13+/t14-,18-/m1/s1

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Names and synonyms

1 names

Ceftazidime anhydrous, (E)-

Work with Ceftazidime ep impurity B

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ceftazidime72558-82-8

Similar compounds

Cefquinome sulfate118443-89-359 % similar (E)-2-(((2-(2-Aminothiazol-4-yl)-3-oxo-3-((2-oxoethyl)amino)prop-1-en-1-yl)amino)oxy)-2-methylpropanoic acid194241-83-349 % similar 2-[(2-Aminothiazol-4-yl)carboxymethyleneaminooxy]-2-methylpropionic acid80542-76-347 % similar 2,2-Dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate138514-32-645 % similar Ceftazidime dihydrochloride73547-70-345 % similar Ceftazidime pentahydrate78439-06-245 % similar Cefcapene pivoxil105889-45-045 % similar Cefuroxime sodium56238-63-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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