Cefepime dihydrochloride monohydrate

C₁₉H₂₈Cl₂N₆O₆S₂CAS 123171-59-5571.49 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Oxime Quaternary ammonium Sulfide

Properties

Molecular formula: C₁₉H₂₈Cl₂N₆O₆S₂
Molar mass: 571.49 g/mol
Exact mass: 570.0889 Da
logP: -0.59Crippen estimate
Polar surface area: 185.8 Å²
H-bond donors / acceptors: 3 / 9
Rotatable bonds: 7
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction98.5% of notifiers
H318 Causes serious eye damage91.2% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled98.5% of notifiers

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

123171-59-5

SMILES

CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1.Cl.Cl.O

InChIKey

LRAJHPGSGBRUJN-OMIVUECESA-N

InChI

InChI=1S/C19H24N6O5S2.2ClH.H2O/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);2*1H;1H2/b23-12-;;;/t13-,17-;;;/m1.../s1

Weigh it out

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

Names and synonyms

3 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-, chloride, hydrochloride, hydrate (1:1:1:1)
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-, chloride, monohydrochloride, monohydrate, [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-, chloride, monohydrochloride, monohydrate

Work with Cefepime dihydrochloride monohydrate

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.

Cefepime88040-23-7Free base

Similar compounds

Cefpirome84957-29-964 % similar Cefpodoxime80210-62-461 % similar Cefpirome sulfate98753-19-660 % similar Cefetamet65052-63-359 % similar Cefotaxime63527-52-658 % similar Cefmenoxime hydrochloride75738-58-857 % similar Cefteram82547-58-857 % similar Cefetamet pivoxil hydrochloride111696-23-257 % similar

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

Elsewhere

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