Ceftizoxime

C₁₃H₁₃N₅O₅S₂CAS 68401-81-0383.40 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Oxime Sulfide

Properties

Molecular formula: C₁₃H₁₃N₅O₅S₂
Molar mass: 383.40 g/mol
Exact mass: 383.0358 Da
Melting point: 227 °C
logP: 0.11Crippen estimate
Polar surface area: 151.4 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 5
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

68401-81-0

SMILES

CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(=N)[nH]1

InChIKey

NNULBSISHYWZJU-LLKWHZGFSA-N

InChI

InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1

Weigh it out

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

Names and synonyms

6 names

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-
(6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Epocelin
Ceftisomin

Work with Ceftizoxime

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.

Ceftizoxime sodium68401-82-1Salt

Similar compounds

Cefetamet65052-63-372 % similar Ceftibuten97519-39-669 % similar Cefpodoxime80210-62-469 % similar (6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-buten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:2)118081-34-866 % similar Cefotaxime63527-52-665 % similar Cefuzonam82219-78-162 % similar Cefteram82547-58-862 % similar Cefmenoxime65085-01-060 % similar

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

Elsewhere

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