Cefpirome sulfate

C₂₂H₂₄N₆O₉S₃CAS 98753-19-6612.65 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Oxime Sulfide

Properties

Molecular formula: C₂₂H₂₄N₆O₉S₃
Molar mass: 612.65 g/mol
Exact mass: 612.0767 Da
Melting point: above 200 °C
logP: -1.03Crippen estimate
Polar surface area: 232.7 Å²
H-bond donors / acceptors: 5 / 11
Rotatable bonds: 7
Stereocentres: R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

98753-19-6

SMILES

CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(=N)[nH]1.O=S(=O)(O)O

InChIKey

RKTNPKZEPLCLSF-QHBKFCFHSA-N

InChI

InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1

Weigh it out

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

Names and synonyms

4 names

5H-Cyclopenta[b]pyridinium, 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]-6,7-dihydro-, sulfate (1:1)
HR 810 sulfate
Keiten
Broact

Work with Cefpirome sulfate

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.

Cefpirome84957-29-9Free base

Similar compounds

Cefepime88040-23-763 % similar Cefquinome sulfate118443-89-362 % similar Cefepime dihydrochloride monohydrate123171-59-560 % similar Cefoselis sulfate122841-12-756 % similar Cefpodoxime80210-62-455 % similar Cefetamet65052-63-354 % similar Cefotaxime63527-52-653 % similar Cefuzonam82219-78-152 % similar

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

Elsewhere

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