chempirical

Cefovecin sodium

C17H18N5NaO6S2CAS 141195-77-9475.47 g/mol

Open in Covalent MOL file
ONOHNONO−OOSSNHNHNa+
AlkeneAmideCarboxylic acidEtherLactamOximeSulfide

Properties

Molecular formula
C17H18N5NaO6S2
Molar mass
475.47 g/mol
Exact mass
475.0596 Da
logP
0.28Crippen estimate
Polar surface area
160.7 Ų
H-bond donors / acceptors
4 / 9
Rotatable bonds
6
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
141195-77-9
SMILES
CON=C(C(=O)N[C@@H]1C(=O)N2C(C([O-])=O)=C([C@@H]3CCCO3)CS[C@H]12)c1csc(=N)[nH]1.[Na+]
InChIKey
KFMRMRJGHFUFOV-VQWMGBAQSA-N
InChI
InChI=1S/C17H19N5O6S2.Na/c1-27-21-10(8-6-30-17(18)19-8)13(23)20-11-14(24)22-12(16(25)26)7(5-29-15(11)22)9-3-2-4-28-9;/h6,9,11,15H,2-5H2,1H3,(H2,18,19)(H,20,23)(H,25,26);/b21-10-;/t9-,11+,15+;/m0./s1

Weigh it out

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

Names and synonyms

4 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]-8-oxo-3-[(2S)-tetrahydro-2-furanyl]-, sodium salt (1:1), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[(2S)-tetrahydro-2-furanyl]-, monosodium salt, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-(tetrahydro-2-furanyl)-, monosodium salt, [6R-[3(S*),6α,7β(Z)]]-
  • UK 287074-02

Work with Cefovecin sodium

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

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

Elsewhere

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