Cefepime

C₁₉H₂₄N₆O₅S₂CAS 88040-23-7480.56 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Oxime Primary amine Quaternary ammonium Sulfide

Properties

Molecular formula: C₁₉H₂₄N₆O₅S₂
Molar mass: 480.56 g/mol
Exact mass: 480.1250 Da
Melting point: 150 °C (decomposes)
logP: -1.28Crippen estimate
Polar surface area: 150.0 Å²
H-bond donors / acceptors: 2 / 10
Rotatable bonds: 7
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 inhaled100% of notifiers

Aggregated from 4 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

88040-23-7

SMILES

C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]

InChIKey

HVFLCNVBZFFHBT-ZKDACBOMSA-N

InChI

InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1

Characterization data

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

[M + H]+

[M + H]+ Calcd for C19H25N6O5S2 481.1322

[M + Na]+

[M + Na]+ Calcd for C19H24N6NaO5S2 503.1142

[M − H]−

[M − H]− Calcd for C19H23N6O5S2 479.1177

Elemental analysis

Anal. Calcd for C19H24N6O5S2: C, 47.49; H, 5.03; N, 17.49; S, 13.34.

Weigh it out

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

Names and synonyms

8 names

Pyrrolidinium, 1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-, inner salt
Pyrrolidinium, 1-[[7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-, inner salt, [6R-[6α,7β(Z)]]-
Pyrrolidinium, 1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-, inner salt
BMY 28142
FR 81335
Tsefepim
Cefimen K
Sefdin

Work with Cefepime

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.

Cefepime dihydrochloride monohydrate123171-59-5Salt

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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