chempirical

Cefdinir

C14H13N5O5S2CAS 91832-40-5395.41 g/mol

Open in Covalent MOL file
OHONONHONOHSNHHNS
AlkeneAmideCarboxylic acidLactamOximeSulfide

Properties

Molecular formula
C14H13N5O5S2
Molar mass
395.41 g/mol
Exact mass
395.0358 Da
Melting point
170 °C (decomposes)
logP
0.50Crippen estimate
Polar surface area
162.4 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
5
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
91832-40-5
SMILES
C=CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)/C(=NO)c3csc(=N)[nH]3)[C@H]2SC1
InChIKey
RTXOFQZKPXMALH-GHXIOONMSA-N
InChI
InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-ethenyl-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(hydroxyimino)acetyl]amino]-3-ethenyl-8-oxo-, [6R-[6α,7β(Z)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(hydroxyimino)acetyl]amino]-3-ethenyl-8-oxo-, (6R,7R)-
  • (6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • FK 482
  • BMY 28488
  • CI 983
  • Cefzon
  • CFDN
  • Adcef
  • Omnicef
  • Cefnil
  • Cefdiel
  • Kefnir
  • Zinir

Work with Cefdinir

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

Cefixime79350-37-178 % similar Cefetamet65052-63-364 % similar Cefpodoxime80210-62-461 % similar Cefotaxime63527-52-658 % similar Ceftizoxime68401-81-056 % similar Cefuzonam82219-78-155 % similar Cefteram82547-58-855 % similar Cefmenoxime65085-01-054 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook