chempirical

Ceftazidime dihydrochloride

C22H24Cl2N6O7S2CAS 73547-70-3619.49 g/mol

Open in Covalent MOL file
ONONHONOHON+SSHNNHOO−HClHCl
AlkeneAmideCarboxylic acidLactamOximeSulfide

Properties

Molecular formula
C22H24Cl2N6O7S2
Molar mass
619.49 g/mol
Exact mass
618.0525 Da
logP
0.22Crippen estimate
Polar surface area
195.4 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
9
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
73547-70-3
SMILES
CC(C)(O/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-].Cl.Cl
InChIKey
JLZLIGALAZXURA-ZYMGEXDGSA-N
InChI
InChI=1S/C22H22N6O7S2.2ClH/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);2*1H/b26-13-;;/t14-,18-;;/m1../s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Pyridinium, 1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, chloride, hydrochloride (1:1:1)
  • Pyridinium, 1-[[7-[[(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, chloride, monohydrochloride, [6R-[6α,7β(Z)]]-
  • Pyridinium, 1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, chloride, monohydrochloride

Work with Ceftazidime dihydrochloride

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

Similar compounds

Ceftazidime72558-82-896 % similar Ceftazidime pentahydrate78439-06-293 % similar Cefpodoxime80210-62-460 % similar Ceftiofur hydrochloride103980-44-557 % similar Cefotaxime63527-52-657 % similar Cefetamet65052-63-356 % similar Cefmenoxime hydrochloride75738-58-856 % similar Cefteram82547-58-856 % similar

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

Elsewhere

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