Chemical identity

Benzylpenicillin Potassium EP impurity D / Penillic Acid of Benzylpenicillin

CAS 13093-87-3 · C16H18N2O4S

01Identity

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

Lazychem IDLC-08002
PubChem CID124418339
NameBenzylpenicillin Potassium EP impurity D / Penillic Acid of Benzylpenicillin
CAS RN13093-87-3
Molecular formulaC16H18N2O4S
Molecular weight334.39 g/mol
IUPAC name(3S,7R,7aR)-5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7- dicarboxylic Acid
InChIKeyPSPRNQOVLYLHSA-RWMBFGLXSA-N

02Structure identifiers

2D structurePubChem CID 124418339
Two-dimensional chemical structure of Benzylpenicillin Potassium EP impurity D / Penillic Acid of Benzylpenicillin, CAS 13093-87-3
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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCC1([C@@H](N2[C@H](S1)[C@H](N=C2CC3=CC=CC=C3)C(=O)O)C(=O)O)C
InChINot listed
Formula from structureC16H18N2O4S
Molecular weight from structure334.39 g/mol

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 13093-87-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 13093-87-3 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

Benzylpenicillin

View API and impurity family

Other names

  • Benzylpenillic acid
  • 3Z3J540R9X
  • NSC 76064
  • UNII-3Z3J540R9X
  • CHEBI:60219
  • (3S,7R,7aR)-5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic Acid
  • Benzylpenicillin sodium impurity D [EP]
  • Benzylpenicillin potassium impurity D [EP]
  • BENZYLPENICILLIN SODIUM IMPURITY D [EP IMPURITY]
  • BENZYLPENICILLIN POTASSIUM IMPURITY D [EP IMPURITY]
  • PROCAINE BENZYLPENICILLIN IMPURITY D [EP IMPURITY]
  • Imidazo(5,1-b)thiazole-3,7-dicarboxylic acid, 5-benzyl-2,3,7,7a-tetrahydro-2,2-dimethyl-

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