chempirical

Cefmenoxime

C16H17N9O5S3CAS 65085-01-0511.55 g/mol

Open in Covalent MOL file
ONOHNONOOHSNNNNSSNHNH
AlkeneAmideCarboxylic acidLactamOximeSulfide

Properties

Molecular formula
C16H17N9O5S3
Molar mass
511.55 g/mol
Exact mass
511.0515 Da
logP
-0.20Crippen estimate
Polar surface area
195.0 Ų
H-bond donors / acceptors
4 / 12
Rotatable bonds
8
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
65085-01-0
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
InChIKey
HJJDBAOLQAWBMH-YCRCPZNHSA-N
InChI
InChI=1S/C16H17N9O5S3/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)/b21-8-/t9-,13-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (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-, [6R-[6α,7β(Z)]]-
  • 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-, (6R,7R)-
  • (6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • SCE 1365
  • AB 50912

Work with Cefmenoxime

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

Similar compounds

Cefmenoxime hydrochloride75738-58-896 % similar Ceftriaxone73384-59-575 % similar Cefuzonam82219-78-173 % similar Cefpodoxime80210-62-473 % similar Cefteram82547-58-871 % similar Cefotaxime63527-52-669 % similar Cefetamet65052-63-369 % similar Cefodizime69739-16-868 % similar

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

Elsewhere

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