chempirical

Cefmenoxime hydrochloride

C16H18ClN9O5S3CAS 75738-58-8548.01 g/mol

Open in Covalent MOL file
ONOHNONOOHSNNNNSSHNHNHCl
AlkeneAmideCarboxylic acidLactamOximeSulfide

Properties

Molecular formula
C16H18ClN9O5S3
Molar mass
548.01 g/mol
Exact mass
547.0282 Da
logP
0.22Crippen estimate
Polar surface area
195.0 Ų
H-bond donors / acceptors
4 / 12
Rotatable bonds
8
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
75738-58-8
SMILES
CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(=N)[nH]1.Cl
InChIKey
HZYJYGJIOCXOTH-FAIYLGIWSA-N
InChI
InChI=1S/C16H17N9O5S3.ClH/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7;/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29);1H/b21-8-;/t9-,13-;/m1./s1

Weigh it out

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

Names and synonyms

9 names
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, hydrochloride (2:1), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, hydrochloride (2:1), [6R-[6α,7β(Z)]]-
  • Cefmenoxime hemihydrochloride
  • Bestcall
  • Tacef
  • Abbott 50192
  • Cemix
  • Cefmax
  • Bestron

Work with Cefmenoxime hydrochloride

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.

Cefmenoxime65085-01-0Free base

Similar compounds

Ceftriaxone73384-59-573 % similar Cefuzonam82219-78-171 % similar Cefpodoxime80210-62-470 % similar Cefteram82547-58-869 % similar Cefotaxime63527-52-667 % similar Cefetamet65052-63-367 % similar Ceftiofur hydrochloride103980-44-566 % similar Cefodizime69739-16-866 % similar

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

Elsewhere

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