Chemical identity

Phenoxymethylpenicillin Potassium EP Impurity A/ Benzylpenicillin (Free Base)

CAS 61-33-6 · C16H18N2O4S

01Identity

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

Lazychem IDLC-25078
PubChem CID101718
NamePhenoxymethylpenicillin Potassium EP Impurity A/ Benzylpenicillin (Free Base)
CAS RN61-33-6
Molecular formulaC16H18N2O4S
Molecular weight334.39 g/mol
IUPAC name(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChIKeyJGSARLDLIJGVTE-YXHCSQSYSA-N

02Structure identifiers

2D structurePubChem CID 101718
Two-dimensional chemical structure of Phenoxymethylpenicillin Potassium EP Impurity A/ Benzylpenicillin (Free Base), CAS 61-33-6
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 stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1(C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
InChINot listed
Formula from structureC16H18N2O4S
Molecular weight from structure334.39 g/mol

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 / RCSNO EXACT MATCH FOUNDCAS 61-33-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 61-33-6 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

Phenoxymethylpenicillin

View API and impurity family

Other names

  • Benzylpenicillin
  • Phenoxymethylpenicillin Potassium EP Impurity A (Free Base)
  • Penicillinic acid, (phenylmethyl)-
  • Phenylacetamidopenicillanic acid
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3, 3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha, 5alpha, 6beta))-
  • 6-(2-Phenylacetamido)penicillanic acid
  • (5R, 6R)-Benzylpenicillin

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