Cefixime

C₁₆H₁₅N₅O₇S₂CAS 79350-37-1453.44 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Oxime Primary amine Sulfide

Properties

Molecular formula: C₁₆H₁₅N₅O₇S₂
Molar mass: 453.44 g/mol
Exact mass: 453.0413 Da
Melting point: 218–225 °C
logP: -0.54Crippen estimate
Polar surface area: 184.5 Å²
H-bond donors / acceptors: 4 / 10
Rotatable bonds: 8
Stereocentres: R, Rin SMILES atom order
Double bonds: ZE/Z, in SMILES order

Hazards

Danger

H315 Causes skin irritation59.6% of notifiers
H317 May cause an allergic skin reaction99.1% of notifiers
H319 Causes serious eye irritation59.6% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled61.5% of notifiers
H335 May cause respiratory irritation59.6% of notifiers

Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

79350-37-1

SMILES

C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O

InChIKey

OKBVVJOGVLARMR-QSWIMTSFSA-N

InChI

InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1

Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+

[M + H]+ Calcd for C16H16N5O7S2 454.0486

[M + Na]+

[M + Na]+ Calcd for C16H15N5NaO7S2 476.0305

[M − H]−

[M − H]− Calcd for C16H14N5O7S2 452.0340

Elemental analysis

Anal. Calcd for C16H15N5O7S2: C, 42.38; H, 3.33; N, 15.45; S, 14.14.

Weigh it out

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

Names and synonyms

27 names · show all

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(carboxymethoxy)imino]acetyl]amino]-3-ethenyl-8-oxo-, (6R,7R)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)[(carboxymethoxy)imino]acetyl]amino]-3-ethenyl-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)[(carboxymethoxy)imino]acetyl]amino]-3-ethenyl-8-oxo-, (6R,7R)-
(6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-[(carboxymethoxy)imino]acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
FK 027
FR 17027
CL 284635
Oroken
Cephoral
Suprax
Unixime
Cefixoral
Cefspan
Cefixim
(-)-Cefixim
Loprax
Cefiximine
Suprax (antibiotic)
Fixitil
Ximacef
Cefexy
Hifen
Taxim-O
Ceftas
Cefoceb
Zifi
Fixx

Work with Cefixime

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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