Flomoxef impurity 4

C22H21ClN2O5CAS 72591-95-8428.87 g/mol

Open in Covalent MOL file
ONOOClOOH2N
AlkeneAlkyl halideAmideEsterEtherLactamPrimary amine

Properties

Molecular formula
C22H21ClN2O5
Molar mass
428.87 g/mol
Exact mass
428.1139 Da
logP
2.31Crippen estimate
Polar surface area
91.1 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6
Stereocentres
R, Rin SMILES atom 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
72591-95-8
SMILES
CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CCl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)N
InChIKey
ROPOSMFNRIYAPG-YADHBBJMSA-N
InChI
InChI=1S/C22H21ClN2O5/c1-28-22(24)20(27)25-17(16(12-23)13-29-21(22)25)19(26)30-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,18,21H,12-13,24H2,1H3/t21-,22+/m1/s1

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

Work with Flomoxef impurity 4

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

7-Mac56610-72-149 % similar Gclh64308-63-041 % similar 7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester36923-21-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Quizalofop-tefuryl119738-06-6

Elsewhere

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