Cefditoren pivoxil

C₂₅H₂₈N₆O₇S₃CAS 117467-28-4620.71 g/mol

Open in Covalent MOL file

Acetal Alkene Amide Ester Lactam Oxime Sulfide

Properties

Molecular formula: C₂₅H₂₈N₆O₇S₃
Molar mass: 620.71 g/mol
Exact mass: 620.1182 Da
Melting point: 127–129 °C
logP: 2.97Crippen estimate
Polar surface area: 179.6 Å²
H-bond donors / acceptors: 3 / 13
Rotatable bonds: 9
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

117467-28-4

SMILES

CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=Cc3scnc3C)CS[C@H]12)c1csc(=N)[nH]1

InChIKey

AFZFFLVORLEPPO-UVYJNCLZSA-N

InChI

InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6-,30-16-/t17-,21-/m1/s1

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Names and synonyms

13 names · show all

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, [6R-[3(Z),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]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-
ME 1207
Cefditoren pivoxyl
Meiact
Spectracef
CCRIS 7768
Cefditoren pivaloyloxymethyl ester
Cefditorin
Zostum-O
Cefditran
Ceftorin

Work with Cefditoren pivoxil

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.

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-carboxylate138514-32-6

Similar compounds

Cefetamet pivoxil65243-33-673 % similar Cefetamet pivoxil hydrochloride111696-23-271 % similar Cefteram pivoxil82547-81-768 % similar Cefetamet65052-63-354 % similar Cefotaxime63527-52-653 % similar Cefpodoxime80210-62-452 % similar Cefodizime69739-16-852 % similar Cefteram82547-58-851 % similar

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

Elsewhere

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