Chemical identity

7-Phenyl-acetamido-deacetoxy-cephalosporanic-acid

CAS 27255-72-7 · C16H16N2O4S

01Identity

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

Lazychem IDLC-09692
PubChem CID168674
Name7-Phenyl-acetamido-deacetoxy-cephalosporanic-acid
CAS RN27255-72-7
Molecular formulaC16H16N2O4S
Molecular weight332.37 g/mol
IUPAC name(6R,7R)-3-methyl-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyCIPQGGYPCPIDBB-IUODEOHRSA-N

02Structure identifiers

2D structurePubChem CID 168674
Two-dimensional chemical structure of 7-Phenyl-acetamido-deacetoxy-cephalosporanic-acid, CAS 27255-72-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O
InChINot listed
Formula from structureC16H16N2O4S
Molecular weight from structure332.37 g/mol

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 / RCSNO EXACT MATCH FOUNDCAS 27255-72-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 27255-72-7 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Cefalexin; Cephalosporin

View API and impurity family

Other names

  • Cefalexin Impurity 15 / 7-ADCA Impurity 4 / 7-Phenyl-acetamido-deacetoxy-cephalosporanic-acid
  • Cefalexin Impurity 15
  • 7-ADCA Impurity 4
  • 7-Phenyl-acetamido-deacetoxy-cephalosporanic-acid
  • (6R,7R)-3-Methyl-8-oxo-7-((2-phenylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • 27255-72-7
  • Phenylacetyl 7-aminodesacetoxycephalosporanic acid
  • DTXSID00181707
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-((phenylacetyl)amino)-, (6R-trans)-
  • RefChem:906259
  • PA-7-ADACA
  • DTXCID00104198

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