chempirical

Cefozopran monohydrochloride

C19H18ClN9O5S2CAS 113981-44-5551.98 g/mol

Open in Covalent MOL file
ONOHNONOO−N+NNSNHNSNHHCl
AlkeneAmideCarboxylic acidLactamOximeSulfide

Properties

Molecular formula
C19H18ClN9O5S2
Molar mass
551.98 g/mol
Exact mass
551.0561 Da
logP
-1.40Crippen estimate
Polar surface area
188.3 Ų
H-bond donors / acceptors
3 / 11
Rotatable bonds
7
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
113981-44-5
SMILES
CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nc(=N)s[nH]1.Cl
InChIKey
NTJHUKMPVIFDNY-XFDPNJHTSA-N
InChI
InChI=1S/C19H17N9O5S2.ClH/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27;/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32);1H/b24-11-;/t12-,17-;/m1./s1

Weigh it out

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

Names and synonyms

6 names
  • Imidazo[1,2-b]pyridazinium, 1-[[(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, chloride (1:1)
  • Imidazo[1,2-b]pyridazinium, 1-[[7-[[(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, chloride, [6R-[6α,7β(Z)]]-
  • Imidazo[1,2-b]pyridazinium, 1-[[(6R,7R)-7-[[(2Z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, chloride
  • 1,2,4-Thiadiazole, imidazo[1,2-b]pyridazinium deriv.
  • Firstcin
  • Cefozopran hydrochloride

Work with Cefozopran monohydrochloride

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

Cefozopran113359-04-997 % similar Cefpirome84957-29-952 % similar Cefpirome sulfate98753-19-649 % similar Cefepime dihydrochloride monohydrate123171-59-548 % similar Cefepime88040-23-746 % similar Cefmenoxime hydrochloride75738-58-842 % similar Ceftiofur hydrochloride103980-44-541 % similar Ceftazidime dihydrochloride73547-70-341 % similar

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

Elsewhere

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