chempirical

Cefetamet pivoxil hydrochloride

C20H26ClN5O7S2CAS 111696-23-2548.03 g/mol

Open in Covalent MOL file
ONOHNONOOOOSSHNHNHCl
AcetalAlkeneAmideEsterLactamOximeSulfide

Properties

Molecular formula
C20H26ClN5O7S2
Molar mass
548.03 g/mol
Exact mass
547.0962 Da
logP
1.93Crippen estimate
Polar surface area
166.7 Ų
H-bond donors / acceptors
3 / 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
111696-23-2
SMILES
CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C)CS[C@H]12)c1csc(=N)[nH]1.Cl
InChIKey
XAAOHMIKXULDKJ-IZXJIOGHSA-N
InChI
InChI=1S/C20H25N5O7S2.ClH/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4;/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26);1H/b24-11-;/t12-,16-;/m1./s1

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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-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, hydrochloride (1:1), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, monohydrochloride, [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-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, monohydrochloride, (6R,7R)-
  • Ro 15-8075
  • Cefetamet (pivaloyloxy)methyl ester hydrochloride
  • Cefyl

Work with Cefetamet pivoxil 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.

Cefetamet pivoxil65243-33-6Free base

Similar compounds

Cefteram pivoxil82547-81-772 % similar Cefditoren pivoxil117467-28-471 % similar Cefetamet65052-63-370 % similar Cefotaxime63527-52-660 % similar Cefpodoxime80210-62-459 % similar Cefepime dihydrochloride monohydrate123171-59-557 % similar Cefepime88040-23-756 % similar Cefmenoxime hydrochloride75738-58-855 % similar

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

Elsewhere

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