Ceftazidime pentahydrate

C₂₂H₃₂N₆O₁₂S₂CAS 78439-06-2636.65 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Oxime Primary amine Sulfide

Properties

Molecular formula: C₂₂H₃₂N₆O₁₂S₂
Molar mass: 636.65 g/mol
Exact mass: 636.1520 Da
logP: -5.42Crippen estimate
Polar surface area: 348.7 Å²
H-bond donors / acceptors: 3 / 11
Rotatable bonds: 9
Stereocentres: R, Rin SMILES atom order
Double bonds: ZE/Z, in SMILES order

Hazards

Danger

H317 May cause an allergic skin reaction100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled98.4% of notifiers

Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

78439-06-2

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-].O.O.O.O.O

InChIKey

NMVPEQXCMGEDNH-TZVUEUGBSA-N

InChI

InChI=1S/C22H22N6O7S2.5H2O/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);5*1H2/b26-13-;;;;;/t14-,18-;;;;;/m1...../s1

Weigh it out

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

Names and synonyms

7 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]-, inner salt, hydrate (1:5)
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]-, inner salt, pentahydrate, [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]-, inner salt, pentahydrate
Glazidim
Starcef 1
Cefidime
Ceftadizim

Work with Ceftazidime pentahydrate

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.

Ceftazidime72558-82-8Anhydrous Ceftazidime ep impurity B97148-38-4Anhydrous, diastereomer Ceftazidime dihydrochloride73547-70-3Salt

Similar compounds

Cefpirome84957-29-960 % similar Cefepime88040-23-757 % similar Cefquinome sulfate118443-89-357 % similar Cefpirome sulfate98753-19-657 % similar Cefotaxime sodium64485-93-456 % similar Ceftiofur sodium104010-37-954 % similar Cefovecin sodium141195-77-953 % similar Cefpodoxime80210-62-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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