Ceftezole

C₁₃H₁₂N₈O₄S₃CAS 26973-24-0440.47 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Sulfide

Properties

Molecular formula: C₁₃H₁₂N₈O₄S₃
Molar mass: 440.47 g/mol
Exact mass: 440.0144 Da
Melting point: 155 °C (decomposes)
logP: -0.10Crippen estimate
Polar surface area: 159.6 Å²
H-bond donors / acceptors: 2 / 11
Rotatable bonds: 7
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

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 the 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

26973-24-0

SMILES

O=C(O)C1=C(CSc2nncs2)CS[C@@H]2[C@H](N=C(O)Cn3cnnn3)C(=O)N12

InChIKey

DZMVCVMFETWNIU-LDYMZIIASA-N

InChI

InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1

Weigh it out

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

Names and synonyms

9 names

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, (6R,7R)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, (6R-trans)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, (6R,7R)-
(6R,7R)-8-Oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
FR 10123
Ceftezol
CG-B 3Q
CTZ

Work with Ceftezole

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.

Ceftezole sodium41136-22-5Salt

Similar compounds

Cefazolin25953-19-977 % similar Cefazedone56187-47-453 % similar Ceforanide60925-61-349 % similar Cefotiam61622-34-247 % similar Cefotiam hydrochloride66309-69-146 % similar Cefamandole34444-01-446 % similar Cefazolin sodium27164-46-143 % similar Cefmenoxime65085-01-043 % similar

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

Elsewhere

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