Cefetamet pivoxil hydrochloride

C20H26ClN5O7S2CAS 111696-23-2548.03 g/mol

Open in Covalent MOL file
NONHONOSNH2NSOOOOHCl
AcetalAlkeneAmideEsterLactamOximePrimary amineSulfide

Properties

Molecular formula
C20H26ClN5O7S2
Molar mass
548.03 g/mol
Exact mass
547.0962 Da
logP
1.26Crippen estimate
Polar surface area
162.5 Ų
H-bond donors / acceptors
2 / 12
Rotatable bonds
7
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.

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Identifiers

CAS number
111696-23-2
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.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 pivoxil82547-81-773 % similar Cefditoren pivoxil117467-28-470 % similar 2,2-Dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate138514-32-670 % similar Cefetamet65052-63-369 % similar Cefotaxime63527-52-659 % similar Cefotaxime sodium64485-93-459 % similar Cefpodoxime80210-62-458 % similar Cefcapene pivoxil105889-45-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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