chempirical

Cefoselis sulfate

C19H24N8O10S3CAS 122841-12-7620.63 g/mol

Open in Covalent MOL file
ONOHNONOOHNNHNOHSSNHNHOSOHOOH
AlcoholAlkeneAmideCarboxylic acidLactamOximeSulfide

Properties

Molecular formula
C19H24N8O10S3
Molar mass
620.63 g/mol
Exact mass
620.0778 Da
logP
-1.39Crippen estimate
Polar surface area
280.0 Ų
H-bond donors / acceptors
8 / 12
Rotatable bonds
9
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
122841-12-7
SMILES
CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3ccc(=N)n3CCO)CS[C@H]12)c1csc(=N)[nH]1.O=S(=O)(O)O
InChIKey
LZOLCSVRFKCSEM-ZQCAECPKSA-N
InChI
InChI=1S/C19H22N8O6S2.H2O4S/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28;1-5(2,3)4/h2-3,8,13,17,20,28H,4-7H2,1H3,(H2,21,22)(H,23,29)(H,31,32);(H2,1,2,3,4)/b20-11?,24-12-;/t13-,17-;/m1./s1

Weigh it out

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

Names and synonyms

5 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-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, (6R,7R)-, sulfate (1:1)
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, [6R-[6α,7β(Z)]]-, sulfate (1:1) (salt)
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, (6R,7R)-, sulfate (1:1) (salt)
  • FK 037
  • Winsef

Work with Cefoselis sulfate

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

Cefoselis122841-10-592 % similar Cefpodoxime80210-62-465 % similar Cefteram82547-58-864 % similar Cefotaxime63527-52-662 % similar Cefetamet65052-63-362 % similar Cefmenoxime65085-01-060 % similar Cefuzonam82219-78-159 % similar Ceftiofur80370-57-659 % similar

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

Elsewhere

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