chempirical

Cefpirome

C22H22N6O5S2CAS 84957-29-9514.58 g/mol

Open in Covalent MOL file
ONONHONOO−N+SSNHNH
AlkeneAmideCarboxylic acidLactamOximeSulfide

Properties

Molecular formula
C22H22N6O5S2
Molar mass
514.58 g/mol
Exact mass
514.1093 Da
logP
-0.37Crippen estimate
Polar surface area
158.1 Ų
H-bond donors / acceptors
3 / 9
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
84957-29-9
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
InChIKey
DKOQGJHPHLTOJR-WHRDSVKCSA-N
InChI
InChI=1S/C22H22N6O5S2/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/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1

Weigh it out

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Names and synonyms

7 names
  • 5H-Cyclopenta[b]pyridinium, 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]-6,7-dihydro-, inner salt
  • 5H-1-Pyrindinium, 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]-6,7-dihydro-, inner salt, [6R-[6α,7β(Z)]]-
  • 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-, inner salt
  • HR 810
  • Antibiotic HR 810
  • 5H-Cyclopenta[b]pyridinium, 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]-6,7-dihydro-, inner salt, [6R-[6α,7β(Z)]]-
  • Cefrom

Work with Cefpirome

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.

Cefpirome sulfate98753-19-6Salt

Similar compounds

Cefepime88040-23-768 % similar Cefepime dihydrochloride monohydrate123171-59-564 % similar Cefpodoxime80210-62-460 % similar Cefetamet65052-63-358 % similar Cefotaxime63527-52-657 % similar Cefuzonam82219-78-156 % similar Ceftiofur80370-57-656 % similar Cefquinome sulfate118443-89-355 % similar

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

Elsewhere

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