Chemical identity

Cefuroxime EP Impurity D / Cefuroxime Axetil EP Impurity C / Cefuroxime Trichloroacetyl Impurity

CAS 76598-06-6 · C18H15Cl3N4O9S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-10204
PubChem CID71587280
NameCefuroxime EP Impurity D / Cefuroxime Axetil EP Impurity C / Cefuroxime Trichloroacetyl Impurity
CAS RN76598-06-6
Molecular formulaC18H15Cl3N4O9S
Molecular weight569.76 g/mol
IUPAC name(6R,7R)-7-[[(Z)-(Furan-2-yl)(methoxyimino)acetyl]amino]-8-oxo-3-[[[(trichloroacetyl)carbamoyl]oxy]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyBGPGYDOAMAGXIO-HOYKSXRLSA-N

02Structure identifiers

2D structurePubChem CID 71587280
2D structure: Cefuroxime EP Impurity D / Cefuroxime Axetil EP Impurity C / Cefuroxime Trichloroacetyl Impurity, CAS 76598-06-6
Structure of Cefuroxime EP Impurity D / Cefuroxime Axetil EP Impurity C / Cefuroxime Trichloroacetyl Impurity (CAS 76598-06-6). LazyChem record. Source identity: PubChem CID 71587280. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC18H15Cl3N4O9S
InChIKeyBGPGYDOAMAGXIO-HOYKSXRLSA-N
Ring count3
Defined stereocentres2
Unassigned stereocentres0
SMILESCO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)NC(=O)C(Cl)(Cl)Cl)C(=O)O
InChIInChI=1S/C18H15Cl3N4O9S/c1-32-24-9(8-3-2-4-33-8)12(26)22-10-13(27)25-11(15(28)29)7(6-35-14(10)25)5-34-17(31)23-16(30)18(19,20)21/h2-4,10,14H,5-6H2,1H3,(H,22,26)(H,28,29)(H,23,30,31)/b24-9-/t10-,14-/m1/s1

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 76598-06-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 76598-06-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Cefuroxime

View API and impurity family

Other names

  • Cefuroxime EP Impurity D
  • Cefuroxime Axetil EP Impurity C
  • Cefuroxime Trichloroacetyl Impurity
  • N-(2,2,2-Trichloroacetyl)cefuroxime
  • Cefuroxime axetil impurity C
  • UNII-Q2I223YL99
  • Cefuroxime axetil impurity C [EP]
  • (6R,7R)-7-(((Z)-2-(Furan-2-yl)-2-(methoxyimino)acetyl)amino)-8-oxo-3-((((trichloroacetyl)carbamoyl)oxy)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2-furanyl(methoxyimino)acetyl)amino)-8-oxo-3-(((((trichloroacetyl)amino)carbonyl)oxy)methyl)-, (6R-(6alpha,7beta(Z)))-

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources