Cefmenoxime hydrochloride

C16H18ClN9O5S3CAS 75738-58-8548.01 g/mol

Open in Covalent MOL file
NNNNSNONHONOSNH2NSOHOHCl
AlkeneAmideCarboxylic acidLactamOximePrimary amineSulfide

Properties

Molecular formula
C16H18ClN9O5S3
Molar mass
548.01 g/mol
Exact mass
547.0282 Da
logP
-0.45Crippen estimate
Polar surface area
190.8 Ų
H-bond donors / acceptors
3 / 13
Rotatable bonds
8
Stereocentres
R, Rin SMILES atom order
Double bonds
ZE/Z, in SMILES 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
CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O.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

Ceftriaxone73384-59-571 % similar Cefpodoxime80210-62-471 % similar Cefuzonam82219-78-170 % similar Cefteram82547-58-870 % similar Ceftriaxone sodium74578-69-169 % similar Cefotaxime63527-52-668 % similar Ceftiofur hydrochloride103980-44-568 % similar Cefetamet65052-63-367 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook