Cefpodoxime proxetil

C21H27N5O9S2CAS 87239-81-4557.59 g/mol

Open in Covalent MOL file
OOOOOONONHONOSHNNHS
AcetalAlkeneAmideCarbonateEsterEtherLactamOximeSulfide

Properties

Molecular formula
C21H27N5O9S2
Molar mass
557.59 g/mol
Exact mass
557.1250 Da
Melting point
98–103 °C
logP
1.50Crippen estimate
Polar surface area
185.2 Ų
H-bond donors / acceptors
3 / 13
Rotatable bonds
10
Stereocentres
R, Rin SMILES atom order

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number
87239-81-4
SMILES
COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](N=C(O)/C(=NOC)c3csc(=N)[nH]3)[C@H]2SC1
InChIKey
LTINZAODLRIQIX-FBXRGJNPSA-N
InChI
InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1

Weigh it out

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

Names and synonyms

19 names · show all
  • 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-(methoxymethyl)-8-oxo-, 1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-, 1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester, [6R-[6α,7β(Z)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-, 1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester, (6R,7R)-
  • CS 807 (pharmaceutical)
  • CS 807
  • U 76252
  • Antibiotic CS 807
  • RU 51807
  • Banan
  • (RS)-1-(Isopropoxycarbonyloxy)ethyl (+)-(6R,7R)-7-[2-(2-amino-4-thiazolyl)-2-[(Z)-(methoxyimino]acetamido]-3-methoxymethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • Orelox
  • Vantin
  • Otreon
  • Cefodox
  • Cephpodoxime proxetil
  • Cepodem
  • Cefoprox
  • Cefoflam
  • Simplicef

Work with Cefpodoxime proxetil

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

Cefpodoxime80210-62-473 % similar Cefotaxime63527-52-662 % similar Cefetamet65052-63-360 % similar Cefepime88040-23-757 % similar Cefetamet pivoxil65243-33-656 % similar Cefuzonam82219-78-156 % similar Cefteram82547-58-856 % similar Ceftiofur80370-57-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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